Monday 26/8/2013 11:00: Microsymposia Session 1

MS 1: XFEL and time resolved crystallographic methods

Chairs: John Helliwell (UK), Victor Lamzin (DE)

11:00 MS1-01 Lars Redecke
Universities of Hamburg and Lübeck, Germany
Free Electron Laser Radiation and in vivo grown Nano-Crystals open new Routes in Structural Biology and Options for time resolved Experiments

11:30 MS1-02 Abbas Ourmazd
University of Wisconsin, USA
Single-particle Structure and Dynamics

12:00 MS1-03 Catherine Dejoie
ETH Zurich and Paul Scherrer Institute, Switzerland
Using a non-monochromatic microbeam for serial snapshot crystallography

12:20 MS1-04 Jose Trincao
Research Complex at Harwell and University of Bath, UK
Dynamic Structural Sciences Consortium – diffraction methods

12:40 MS1-05 Atsushi Nakagawa
Osaka University, Japan
Coherent Diffraction Imaging for Spherical Biological Particles

MS 9: Protein-nucleic acid complexes

Chairs: Udo Heinemann (DE), Elisabeth Sauer-Eriksson (SE)

11:00 MS9-01 Antony Oliver
University of Sussex, UK
Cooperation of the PARP1 Zinc-Finger Domains in Recognising DNA Strand Breaks

11:30 MS9-02 Ralf Ficner
Georg-August-University Göttingen, Germany
Crystal structures of fungal velvet regulators reveal an unexpected similarity to NF-κB

12:00 MS9-03 Matthias Wilmanns
EMBL Hamburg, Germany
A bZip transcription factor with homo/heterodimer-induced DNA-binding preference

12:20 MS9-04 Stephen Carr
Research Complex at Harwell, UK
Structural Studies of Rolling Circle Replication Initiator Proteins

12:40 MS9-05 Richard Martin
University of Portsmouth, UK
Structural analysis of the bacterial RM controller protein, C.Esp1396I, in complex with DNA

MS 22: Materials studied by (coherent) diffraction imaging

Chairs: Ullrich Pietsch (DE), Simon Jacques (FR)

11:00 MS22-01 Christian Gutt
HASY Lab, DESY, Hamburg, Germany
Coherent Diffractive Imaging of Magnetic Samples with XFEL Sources

11:30 MS22-02 Richard Kirian
Arizona State University, USA
Methods for phasing coherently illuminated nanocrystals

12:00 MS22-03 Tobias Lühr
TU Dortmund, Germany
Direct 3-dimensional atomic imaging by means of electron diffraction patterns

12:20 MS22-04 Arman Davtyan
University of Siegen, Germany
Coherent x-ray diffraction from single nanowires

12:40 MS22-05 James Sandy
Diamond Light Source, UK
Recent Developments on Beamline I02 at the Diamond Light Source

MS 23: Exploring crystal energy landscapes and crystal structure prediction

Chairs: Graeme Day (UK), Andrew Maloney (UK)

11:00 MS23-01 Doris Braun
University of Innsbruck, Austria
Hydrates of Small Organic Molecules – Insights into their Formation and Stability

11:30 MS23-02 Andreas Klamt
COSMOlogic GmbH and University of Regensburg, Germany
Co-crystal screening and other potential applications of COSMO-RS for crystallography

12:00 MS23-03 Matthew Habgood
Imperial College, London, UK
The road not taken: the crystal energy landscape as an interpretive tool

12:20 MS23-04 Hugh Thompson
University of Cambridge, UK
Mapping crystalline molecular geometries to the conformational energy landscape

12:40 MS23-05 Anthony Reilly
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
Reliable Modelling of Stability and Polymorphism of Molecular Crystals with Many-Body van der Waals Interactions

Chairs: Roger Johnson (UK), Jörg Strempfer (DE)

11:00 MS35-01 Elisabeth Blackburn
University of Birmingham, UK
Direct observation of charge density wave order, competing with superconductivity in YBCO, revealed by high magnetic fields

11:30 MS35-02 Pascal Manuel
STFC Rutherford Appleton Laboratory, Chilton, UK
Exploration of novel field-induced phases via neutron diffraction at high magnetic fields

12:00 MS35-03 Joe Paddison
University of Oxford, UK
Magnetic Structure Solution of Frustrated Spin Systems

12:20 MS35-04 Karen Friese
Research Center Jülich, Germany
Nuclear and Magnetic Structure of HoNi2B2C at Room Temperature and 2.2 K

12:40 MS35-05 Emma McCabe
University of Kent, UK
Structural chemistry and magnetism of transition metal oxyselenides Ln2O2Fe2OSe2

MS 44: Crystallographic Software Fayre introduction

Martin Lutz (NL), Santiago Garcia-Granda (ES)

11:00 MS44-01 Giovanni Luca Cascarano
Istituto di Cristallografia, Bari, Italy
New features in Sir2011

11:30 MS44-02 Andrea Thorn
MRC Laboratory of Molecular Biology, Cambridge, UK
Macromolecular Phasing with SHELXC/D/E Starting from Very Little Phase Information

12:00 MS44-03 Mois Ilia Aroyo
Universidad del País Vasco, Bilbao, Spain
Bilbao Crystallographic Server: New Tools and Improvements

12:20 MS44-04 Massimo Sammito
Instituto de Biología Molecular de Barcelona, Spain
BORGES-ARCIMBOLDO exploiting tertiary folds as fragments libraries for phasing

12:40 MS44-05 Michal Hušák
Institute of Chemical Technology, Prague, Czech Republic
Powder data indexation by parallel GPU accelerated grid search method


Monday 26/8/2013 15:00: Microsymposia Session 2


MS 2: Multi-crystal techniques

Chairs: Wayne Hendrickson (US), Sean McSweeney (FR)

15:00 MS2-01 Gwyndaf Evans
Diamond Light Source, UK
Automated Processing of Datasets Obtained from Multiple Crystals

15:30 MS2-02 Arwen Pearson
University of Leeds, UK
Getting more out of your diffraction experiment: complementary methods and new data collection strategies at synchrotron sources

16:00 MS2-03 Marie Colmont
Université Lille Nord de France, France
Possible cationic ordering in bismuth oxide phosphates

16:20 MS2-04 Ralf Flaig
Diamond Light Source, UK
Data Collection Options at the Macromolecular Crystallography Beamlines at Diamond Light Source

16:40 MS2-05 Max Nanao
EMBL Grenoble Outstation, France
“Off the shelf” automatic multi-crystal/multi-position data processing

MS 15: Electron microscopy for aperiodic structures

Chairs: Holger Klein (FR), Joke Hadermann (BE)

15:00 MS15-01 Ray Withers
The Australian National Univeristy, Canberra, Australia
Modulated Structures and Microscopes: from doped Bismuth Ferrites to Nano Chessboards

15:30 MS15-02 Philippe Boullay
CRISMAT, Caen, France
Aperiodic structures related to Aurivillius phases solved by precession electron diffraction

16:00 MS15-03 Yanhang Ma
Stockholm University, Sweden
Structure Analysis of Approximants for Quasicrystals with 3D Electron Diffraction Tomography

16:20 MS15-04 Christophe Lepoittevin
CNRS et Université Joseph Fourier, Grenoble, France
Sr25Fe30O77 : A modulated structure solved by electron diffraction

16:40 MS15-05 Dmitry Batuk
University of Antwerp, Belgium
Effect of Lone Pair Cations on the Orientation of Crystallographic Shear Planes in Anion-deficient Perovskites

MS 29: Getting more from your electron density

Chairs: Claude Lecomte (FR), Annamaria Mazzone (IT)

15:00 MS29-01 Maria Cristina Burla
Università degli Studi di Perugia, Perugia & Istituto di Cristallografia, CNR, Bari, Italy
About the first VLD (Vive La Difference) applications

15:30 MS29-02 Maciej Kubicki
Adam Mickiewicz University, Poznan, Poland
Charge Density Studies of Nitroimidazoles: Halogen Bonding and Solid Solution.

16:00 MS29-03 Marek Fronc
Dectris Ltd, Baden, Switzerland
Charge Density Study of [Cu22-I)2(2,6-dimethylpyridine)2]

16:20 MS29-04 Oleg Sobolev
Russian Academy of Sciences, Pushchino, Russia
Prediction of alternative and disordered residues by unrestrained refinement

16:40 MS29-05 Dubravka Jung Sisak
Dectris LTD, Baden, Switzerland
Guidelines for solving structures of polycrystalline materials using charge flipping

MS 33: Molecular compounds under high pressure

Chairs: Yaroslav Filinchuk (BE), Francesca Fabbiani (DE)

15:00 MS33-01 Elena Boldyreva
RAS & Novosibirsk State University, Russian Federation
Two-Component Organic Crystals at High Pressure

15:30 MS33-02 Jiuhua Chen
China & Florida International University, USA & Jilin University, China
Bonding and Phase Change in Ammonia Borane and Lithium Amidoborane under High Pressure

16:00 MS33-03 Kamil Dziubek
Adam Mickiewicz University, Poznan, Poland
Volumetric Measurements in High Pressure Crystallography

16:20 MS33-04 Iain Oswald
University of Strathclyde, Glasgow, UK
Pressure-Induced Polymorphism in Small Molecule Acrylic Acids

16:40 MS33-05 Scott McKellar
University of Edinburgh, Edinburgh, UK
The Effect of Solvent and Pressure on the Post-Synthetic Modification of a Metal-Organic Framework

Chairs: Paul Beurskens (NL), Sine Larsen (DK)

15:00 MS42-01 Andre Authier
Université P. et M. Curie, France
Crystallography in Europe in the 1970s – Birth of the European Crystallographic Committee

15:30 MS42-02 Hartmut Fuess
Technische Universität Darmstadt, Germany
Transition from a Committee to an Association (ECC à ECA)

16:00 MS42-03 Santiago Garcia-Granda
University of Oviedo, Spain
ECA recent history: From Leuven to Rovinj and before

16:20 MS42-04 Jan Boeyens
University of Pretoria, South Africa
Crystallography in Africa

16:40 MS42-05 William Duax
Hauptman Woodward MRI, Buffalo, USA
European Crystallographic Meetings: an American’s View


Tuesday 27/8/2013 10:00 – Microsymposia Session 3

MS 3 Hybrid approaches (SAXS, EM, etc + MX)

Chairs: Bruno Klaholz (FR), Guillermo Montoya (ES)

10:00 MS3-01 Dale Wigley
Institute of Cancer Research, London, UK
Unlocking the mysteries of chromatin modifying complexes

10:30 MS3-02 Paula da Fonseca
MRC Laboratory of Molecular Biology, Cambridge, UK
Unravelling the structure of the human 26S proteasome: a hybrid approach

11:00 MS3-03 Nicoleta Galatanu
Xenocs, France
SAXS studies of protein solutions using high brilliance clean beam and low background camera

11:20 MS3-04 John Beale
University of Oxford, UK
A structural and biophysical comparison between the extra-cellular domains from the mammalian peptide transporters, PepT1 and PepT2

11:40 MS3-05 Pierre Aller
Diamond Light Source, UK
In Situ Plate Screening to Evaluate the Dehydration Effect on Protein Crystals

MS 12: Radiation damage

Chairs: Max Nanao (FR), Arwen Pearson (UK)

10:00 MS12-01 Robin Owen
Diamond Light Source, UK
More haste and more speed: outrunning damage in room temperature MX

10:30 MS12-02 Oliver Zeldin
University of Oxford, UK
Get the most out of your precious crystal with three dimensional dose modeling.

11:00 MS12-03 Edward Snell
Hauptman Woodward Medical Research Institute, Buffalo & SUNY Buffalo Medical School, USA
X-ray induced disulfide bond cleavage studied with EPR, optical absorption, and X-ray diffraction

11:20 MS12-05 Michael Hough
School of Biological Sciences, Colchester, UK
Mechanisms of ligand discrimination in cytochrome c’

MS 16: X-rays and electrons: joining forces

Chairs: Gopinithan Sankar (UK), Xiaodong Zou (SE)

10:00 MS16-01 Ute Kolb
Johannes Gutenberg University Mainz & Technical University Darmstadt, Germany
Automated electron Diffraction Tomography (ADT) and X-ray powder diffraction for structure characterization of layered materials

10:30 MS16-02 Mervyn Shannon
EPSRC National Facility for Aberration-Corrected Scanning Transmission Electron Microscopy (SuperSTEM), Daresbury, and University of Liverpool, UK.
Combining X-rays and electrons to characterise disordered inorganic materials

11:00 MS16-03 Oliver Oeckler
Leipzig University, Germany
Combining TEM and synchrotron microdiffraction – a novel lead antimony sulfide telluride, and more examples

11:20 MS16-04 Holger Klein
Institut Néel, Grenoble, France
Complex Sr64.1Bi27.7Ni8.2Ox Revisited and Refined

11:40 MS16-05 Jie Su
Stockholm University, Sweden
PKU-14: Combining X-ray Powder Diffraction, Rotation Electron Diffraction, NMR and IR Spectroscopy

MS 32: Structural studies at extreme conditions by single crystal X-ray diffraction

Chairs: Leonid Dubrovinsky (DE), Mike Probert (UK)

10:00 MS32-01 Malcolm McMahon
University of Edinburgh, UK
Single Crystal Diffraction at Extreme Conditions on Synchrotron Sources

10:30 MS32-02 Vitali Prakapenka
CARS, University of Chicago, USA
High Pressure Behavior of Single-Crystal and Nanocrystalline ZnO studied with XRD and BS

11:00 MS32-03 Christopher Woodall
University of Bath, UK
There and back again: – Polytypism and high pressure re-entrant behaviour in a gold (I) trimer

11:20 MS32-04 Boris Zakharov
RAS & Novosibirsk State University, Russia
X-ray diffraction and Raman spectroscopic study of structural changes at extreme conditions

11:40 MS32-05 Emmanuel Wenger
Université de Lorraine and CNRS, Vandoeuvre-lès-Nancy, France
Laboratory data collection using a pixel detector: application to ms time resolved crystallography

MS 41: Crystallographic teaching and education

Chairs: Elena Boldyreva (RU), Annalisa Guerri (IT)

10:00 MS41-01 Jean Louis Hodeau
Institut Néel, Grenoble, France
Use the crystallography history as a tool for crystallography and science education

10:30 MS41-02 Luc Van Meervelt
KU Leuven, Belgium
From crystal growing competitions world-wide to a world-wide crystal growing competition

11:00 MS41-03 Anna Warren
Harwell Science and Innovation Campus, UK
Crystallography for the People

11:20 MS41-04 Santiago Garcia-Granda
University Oviedo, Spain
IYCr2014: Spanish Program within the European and International framework

11:40 MS41-05 Michele Zema
University of Pavia, Italy
International Summer Schools in Crystallography in Italy: A long-lasting and still vital tradition of the AIC

MS 46: In situ methods and transient effects in chemical crystallography

Chairs: Simone Techert (DE), Marijana Dakovic (HR)

10:00 MS46-01 Christian Schimpf
TU Bergakademie Freiberg, Germany
Microstructure Defects in Graphitic BN and their Impact in the Transition to the Dense Phases

10:20 MS46-02 Giulio Lampronti
University of Cambridge, UK
Solid-State Dynamic Covalent Chemistry: a Combined Powder X-Ray Diffraction and Chromatography Study of Mechanochemistry Kinetics

10:40 MS46-03 Marco Milanesio
Università del Piemonte Orientale, Italy
PCA and DOE analysis of intercalation yieldinto hydrotalcites by liquid assisted grinding

11:00 MS46-04 Hongzhen Li
China Academy of Engineering Physics, Mianyang, China
Crystal Growth and Influence of the Crystal Structure Characteristics on the Shock Sensitivities of RDX, HMX and CL-20 Nitramine Explosives

11:20 MS46-05 Inigo Vitorica Yrezabal
University of Sheffield, UK
Gas-solid reactions in non-porous crystalline materials studied by in-situ XRPD

11:40 MS46-06 Alice Brink
University of the Free State, Bloemfontein, South Africa
Coordinated Ligand Manipulation of Rhenium Tricarbonyl Reactivity


Tuesday 27/8/2013 14:00 – Microsymposia Session 4


MS 4: Advances in refinement, phasing and autobuilding

Chairs: Michael Kokkinidis (GR), Isabel Uson (ES)

14:00 MS4-01 Airlie McCoy
University of Cambridge, UK
Using Phaser for Phasing in Conjunction with Wide-Convergence Refinement and Model Building Techniques

14:30 MS4-02 Robert Nicholls
MRC Laboratory of Molecular Biology, Cambridge, UK
Macromolecular Refinement At Low Resolution With REFMAC5 And ProSMART

15:00 MS4-03 Dale Tronrud
Oregon State University, USA
Representing phi/psi-Dependency of a Variable as a Continuous Function

15:20 MS4-04 Ronan Keegan
Research Complex at Harwell, UK
Using de novo protein structure modelling techniques to create and enhance search models for use in Molecular Replacement

15:40 MS4-05 Pavol Skubak
Leiden University, The Netherlands
A Combined Method for Automatic Structure Solution of Proteins of Unknown Fold

MS 13: Charge and spin density measurements of materials

Chairs: Beatrice Gillon (FR), Krzysztof Wozniak (PL)

14:00 MS13-01 Maxime Deutsch
Université de Lorraine, Vandoeuvre-les-Nancy, & CEA Saclay, Gif-sur-Yvette, France
Experimental Spin-Resolved Electron Densities: Results of a Joint Refinement of XRD and PND Data

14:30 MS13-02 Anders Østergaard Madsen
Universtity of Copenhagen, Denmark
Combining Ab-initio Lattice Dynamics and Diffraction Measurements in Charge Density Studies

15:00 MS13-03 Mark P. Waller
Organic-Chemistry Institute, Münster, Germany
Revealing noncovalent interactions in quantum crystallography

15:20 MS13-04 Isabelle Kirby
University of Southampton, UK
Structural systematics of anion-receptor complexes: insights from electron density distributions

15:40 MS13-05 Slawomir Domagala
University of Warsaw, Poland
Dithiazyl radicals – Structures and charge densities of their crystals and cocrystals

Chairs: Oleg Siidra (RU), Biljana Lazic (CH)

14:00 MS18-01 Fernando Camara
Università di Torino, Italy & University of Manitoba, Winnipeg, Canada
Prediction of new structural arrangements and chemical compositions in Ti silicates

14:30 MS18-02 Frederic Hatert
University of Liège, Belgium
Structural Variations of Olivine-type Phosphates: a good Example of how Minerals can inspire the Development of new Materials

15:00 MS18-03 Andrew Goodwin
University of Oxford, UK
Negative Linear Compressibility in Molecular Framework Materials

15:20 MS18-04 Olga Yakubovich
Moscow State Lomonosov University, Russia
A Polysomatic Series of Two-Dimensional Vanadates, Arsenates and Phosphates

15:40 MS18-05 Xiaodong Zou
Stockholm University, Sweden
New TEM techniques for solving 3D structures of nanosized and/or intergrown zeolites and minerals

MS 31: Photocrystallography

Chairs: Paul Raithby (UK), Reza Kia (DE)

14:00 MS31-01 Christine Cardin
University of Reading and Diamond Light Source, UK
Towards biophotocrystallography with photoxidisable ruthenium complexes

14:30 MS31-02 Carole Morrison
University of Edinburgh, UK
Exciting ‘stuff’: modelling photochemical reactions in the condensed phase. Applications in time-resolved diffraction

15:00 MS31-03 Helen Mason
Durham University, UK
Crystallographic studies of spin crossover in [Fe(abpt)2(NCS)2] polymorphs

15:20 MS31-04 Lauren Hatcher
University of Bath, UK
Photocrystallographic studies of novel metal-nitrite compounds

15:40 MS31-05 Pascal Parois
University of Oxford, UK
Alternative criteria for optimal data collection strategy

Chairs: Alessia Bacchi (IT), Janusz Lipkowski (PL)

14:00 MS38-01 Scott J Dalgarno
Heriot-Watt University, UK
p-Carboxylatocalix[4]arenes: Controlled Self- and Metal-Directed Assembly

14:30 MS38-02 Chiara Massera
Università degli Studi di Parma, Italy
Solid State Molecular Recognition for Supramolecular Sensing.

15:00 MS38-03 Samantha Chong
University of Liverpool, UK
Assembling pore networks in organic cage structures using molecular recognition

15:20 MS38-04 Evgeniy Losev
Institute of Solid State Chemistry and Mechanochemistry, Novosibirsk, Russia
The effect of water on the outcome of mechanical treatment in L-serine oxalic acid system

15:40 MS38-05 Consiglia Tedesco
Università di Salerno, Fisciano, Italy
How metallation affects solid state conformation and assembly of hexameric cyclic peptoids


Wednesday 28/8/2013 10:00 – Microsymposia Session 5


MS 6: Macromolecular assemblies

Chairs: Marat Yusupov (FR), Matthias Willmanns (DE)

10:00 MS6-01 Debora Makino
Max Planck Institute of Biochemistry, Martinsried, Germany
Structure of The RNA-bound Eukaryotic Exosome Complex

10:30 MS6-02 Wojtek Galej
MRC Laboratory of Molecular Biology, Cambridge, UK
Crystal structure of Prp8 and its implications for the spliceosomal active site.

11:00 MS6-03 Shabir Najmudin
Universidade Técnica de Lisboa, Portugal
Elucidation of the ScaC cohesin to ScaB dockerin Type I protein:protein interactions in Acetivibrio cellulolyticus

11:20 MS6-04 Udo Heinemann
Max-Delbrück-Centrum für Molekulare Medizin Berlin-Buch & Freie Universität, Berlin, Germany
Structural studies of proteins involved in ER-associated protein degradation

11:40 MS6-05 Clemens Plaschka
Ludwig-Maximilians-Universität München, Germany
Structure of the Mediator Head Module

MS 20: Crystal physics of minerals and materials at variable pressures and temperatures

Chairs: Anna Gagor (PL); Vitali Prakapenka (US)

10:00 MS20-01 Gregory Rozenberg
Tel-Aviv University, Israel
Structural consequences of pressure-induced electronic transitions in iron compounds

10:30 MS20-02 Ilya Sergeev
DESY, Hamburg, Germany
High pressure studies of lattice dynamics and magnetism by nuclear resonance scattering

11:00 MS20-03 Leonid Dubrovinsky
Bayerisches Geoinstitut, Bayreuth, Germany
Crystal Chemistry of Silicate Perovskite and Postperovskite from In Situ Single Crystal X-ray Diffraction

11:20 MS20-04 Dean S. Keeble
University of Warwick, UK
A Neutron Diffraction Study of the Ergodic Transition in Sodium Bismuth Titanate

11:40 MS20-05 Valentina F. Degtyareva
Russian Academy of Sciences, Chernogolovka, Russia
Incommensurate Host-guest Structures in Compressed Elements: Hume-Rothery Effects as Origin

Chairs: Dave Stuart (UK), Sebastien Boutet (US), Martin Walsh (UK)

10:00 MS21-01 Uwe Weirstall
Arizona State University, USA
Serial Femtosecond Crystallography of Membrane Proteins with a Lipidic Cubic Phase injector

10:30 MS21-02 Adrian Mancuso
European XFEL, Hamburg, Germany
The Single Particles, Clusters and Biomolecules (SPB) instrument at the European XFEL

11:00 MS21-03 Richard Gildea
Diamond Light Source, UK
Serial Femtosecond Crystallography Analysis

11:20 MS21-04 John Helliwell
University of Manchester, UK
X-ray scattering of the Pt hexahalides of Cl, Br and I and Ta6Br12 for XFEL

11:40 MS21-05 Thomas Schneider
DESY, Hamburg, Germany
EMBL beamlines for macromolecular crystallography at PETRA III

Chairs: Nikoletta Bathori (ZA), Andrew Bond (DK)

10:00 MS24-01 Lee Brammer
University of Sheffield, UK
Flexibility and Chemical Transformations in Network and Framework Materials

10:30 MS24-02 Chick C. Wilson
University of Bath, UK
Multi-component molecular materials: design, properties, crystallisation, manufacture

11:00 MS24-03 Simona Galli
University of Insubria, Italy
Structure and Properties of Robust Bipyrazolato-based Coordination Polymers

11:20 MS24-04 Colin Seaton
University of Limerick, Ireland
Influence of Chemical and Crystallographic Environment on Solid-State Proton Transfer

11:40 MS24-05 Peter A. Wood
Cambridge Crystallographic Data Centre, UK
Organic salts: the nemesis of crystal engineering and prediction?

MS 26: Crystallography of nanoparticles, including strain broadening

Chairs: Antonio Cervellino (CH), Radek Kuzel (CZ)

10:00 MS26-01 Alberto Leonardi
University of Trento, Italy
Strain broadening effects in nanostructured materials

10:30 MS26-02 David Rafaja
Freiberg University of Technology, Germany
Phase Transformations on Nanometre Scale

11:00 MS26-03 Morgan Jones
Aberystwyth University, UK
Strain characterisation in Nano-crystalline ceramics: The Laser pump-probe technique

11:20 MS26-04 Ivan Bushmarinov
Russian Academy of Sciences, Moscow, Russia
The structure and ordering processes of MoS2-based layered systems

11:40 MS26-05 Petr Brazda
Institute of Inorganic Chemistry, Rez, Czech Republic
Residual Strain in ε-Fe2O3 Nanoparticles Embedded in SiO2 Matrix


Wednesday 28/8/2013 14:00 – Microsymposia Session 6


MS 5: Structure and function of biomacromolecules (Butterworth Hall)

Chairs: Marjolein Thunnissen (SE), Gerlind Sulzenbacher (FR)

14:00 MS5-01 Andrzej Marek Brzozowski
University of York, UK
First Structural Insights into Insulin-Insulin Receptor Complex

14:30 MS5-02 Mikael Elias
Weizmann Institute of Science, Israel
The molecular basis of phosphate discrimination in arsenate-rich environments

15:00 MS5-03 Michael James
Department of Biochemistry, Edmonton, Canada
Insights into the mutations that cause Mucopolysaccharidosis I (MPS I) based on the structure and mechanism of α-L-Iduronidase

15:20 MS5-04 Barbara Calisto
Universidade do Porto, Portugal & ESRF, Grenoble, France
The Protein-Protein Interactions that Govern Motility in Mycoplasma genitalium

15:40 MS5-05 John McGeehan
University of Portsmouth, UK
A Novel Cellulase for Biofuels Production: Structure of a Marine GH7 Cellobiohydrolase

MS 11: Twinning: problems and advantages (Studio)

Chairs: Loes Kroon-Batenburg (NL), Pietro Roversi (UK)

14:00 MS11-01 Berthold Stoeger
Vienna University of Technology, Austria
Layered molecular structures: The crystal chemistry of the twin interface

14:30 MS11-02 Harry Powell
MRC Laboratory of Molecular Biology, Cambridge, UK
Dupond, Dupont ou Dupondt? Jumeaux ou sosies? Dealing with extra lattices

15:00 MS11-03 A. David Rae
Australian National University, Canberra, Australia
Homometric Structures that Result from Data Collection using Powder Diffraction

15:20 MS11-04 Martin Lutz
Utrecht University, The Netherlands
Cracked Crystals: an Integration Challenge

15:40 MS11-05 Areej Abuhammad
University of Oxford, UK
Structure of arylamine N-acetyltransferase from M. tuberculosis: Triumph over Adversity

Chairs: Paola Gilli (IT); Kari Rissanen (FI)

14:00 MS25-01 Israel Goldberg
Tel Aviv University, Israel
Tailoring Molecular Recognition Among Porphyrin Tectons

14:30 MS25-02 Giancarlo Terraneo
Politecnico di Milano, Italy
Strong and Weak Halogen Bonding Synthons at Work: from Methodologies to Applications

15:00 MS25-03 Nikoletta B. Bathori
Cape Peninsula University of Technology, Cape Town, South Africa
Chiral Discrimination in the Solid State- Molecular Interactions in Inclusion Compounds and Diastereomeric Salts of Cinchona Alkaloids

15:20 MS25-04 Dmitry S.Yufit
Durham University, Durham, UK & SSI “Institute for Single Crystals”, Kharkiv, Ukraine
Appearance is deceptive. Pair-wise energy analysis of packing motifs in molecular complexes

15:40 MS25-05 Matteo Lusi
New York University – Abu Dhabi, UAE
Crystallographic Evidences of the Nature of Homopolar H···H Interactions

MS 34: Thin films (Woods-Scawen)

Chairs: Susan Schorr (DE), Klaudia Hradil (AT)

14:00 MS34-01 Roland Mainz
Helmholtz-Zentrum Berlin, Germany
Real-time growth analysis of thin film semiconductors by in-situ diffraction and fluorescence

14:30 MS34-02 Roland Resel
Graz University of Technology, Austria
Surface induced crystal structures for organic electronic applications: thin film growth and structure solution

15:00 MS34-03 Marcus Hoelzel
Forschungsneutronenquelle Heinz-Maier Leibnitz Technische Universität, München, Germany
In-situ neutron diffraction on ferroelectrics under electric field

15:20 MS34-04 Radomir Kuzel
Charles University in Prague, Czech Republic
X-ray diffraction in-situ study of crystallization of titania thin films

15:40 MS34-05 Ulrike Ratayski
TU Bergakademie Freiberg, Germany
Thermal stability of metastable fcc-(Ti,Al)N in nanoscaled TiN/(Ti,Al)N/AlN multilayers”

MS 43: “How to” session (Cinema)

Chairs: Céline Mariette (FR), Hans-Beat Burgi (CH), Svend Erik Rasmussen (DK)

14:00 MS43-01 Thomas Weber
ETH Zurich, Switzerland
Measurement and Reduction of Diffuse Scattering Data

14:30 MS43-02 Olivier Perez
CNRS / ENSICAEN, Caen, France
Superspace Formalism: The Swiss Army Knife of the Crystallographer

15:00 MS43-03 Martin Adam
Bruker AXS GmbH, Karlsruhe, Germany
Shutterless CMOS Detector Data Processing Using the Bruker APEX2 and PROTEUM2 Software Suites

15:20 MS43-04 Paul Henry
European Spallation Source (ESS), Lund & Chalmers University of Technology, Göteborg, Sweden
To deuterate or not to deuterate? That is the question?

15:40 MS43-05 TBC

Chairs: Carl Schwalbe (UK), Massimo Nespolo (FR)

14:00 MS40-01 Petr Bezdicka
Academy of Fine Arts in Prague and the Institute of Inorganic Chemistry of the ASCR, Czech Republic
Analysis of clay minerals in the fine art as a part of provenance studies

14:30 MS40-02 Alicja Rafalska-Lasocha
Jagiellonian University & Jerzy Haber Institute of Catalysis and Surface Chemistry PAS, Krakow, Poland
Application of Crystallographic Methods to the Study of Paintings and Archaeological Objects

15:00 MS40-03 Jordi Rius
Institut de Ciència de Materials de Barcelona, Catalunya, Spain
Crystal structure refinement in polished thin sections by synchrotron tts-microdiffraction

15:20 MS40-04 Laura Holland
Diamond Light Source, UK
Light reading: engagement with science through creative writing

15:40 MS40-05 Davide Viterbo
Università del Piemonte Orientale, Alessandria, Italy
Primo Levi, William Henry Bragg and the atomic theory of matter


Thursday 29/8/2013 10:00 – Microsymposia Session 7


MS 7: Membrane proteins (Butterworth Hall)

Chairs: Elizabeth Carpenter (UK), Martin Caffrey (IR)

10:00 MS7-01 Leonid A. Sazanov
Medical Research Council, Cambridge, UK
Structure and mechanism of respiratory complex I, a giant molecular proton pump

10:30 MS7-02 Bonnie Wallace
Birkbeck College, University of London, UK
Sodium Binding Sites in Voltage-gated Sodium Channels

11:00 MS7-03 Dianfan Li
Trinity College Dublin, Ireland
Membrane Protein Crystallization in Lipidic Mesophases . The host lipid screen

11:20 MS7-04 Franziska U. Huschmann
University of Otago, Dunedin, New Zealand
Crystallization of Erg11p – the cytochrome P450 target of triazole antifungals

11:40 MS7-05 Andrew Quigley
University of Oxford, UK
Structures of the nuclear membrane protease ZMPSTE24 explain premature aging mutations

MS 10: General interests of single molecule crystallography, both large and small (Theatre)

Chairs: Thomas Schneider (DE), Kirsten Christensen (UK)

10:00 MS10-01 George M. Sheldrick
Georg-August-Universität, Göttingen, Germany
Recent developments in SHELX

10:30 MS10-02 Tjelvar S.G. Olsson
Cambridge Crystallographic Data Centre, UK
Evaluation of molecular crystal structures using Full Interaction Maps

11:00 MS10-03 Julian Holstein
Global Phasing Ltd., Cambridge & University of Cambridge, UK
Monomer Restraint Library for Supramolecular Crystallography

11:20 MS10-04 Mathias Meyer
Agilent Technologies (Poland) Sp. z o. o., Wrocław, Poland
Advances in Data Quality in Area Detector Diffraction Experiment

11:40 MS10-05 Ramona Duman
Harwell Science and Innovation Campus, UK
The Long-wavelength Macromolecular Crystallography Beamline at Diamond Light Source

MS 17: Combined methods for soft matter and other crystallography (Ensemble)

Chairs: Marco Milanesio (IT), Stavros Nikolopoulos (BE)

10:00 MS17-01 Sven Hovmoller
Stockholm University, Sweden
Single Crystal Diffraction from Powders

10:30 MS17-02 Tatiana E. Gorelik
Johannes Gutenberg University Mainz, Germany
Electron Crystallography of Molecular Crystals

11:00 MS17-03 Louisa Meshi
Ben-Gurion University of the Negev, Beer-Sheva, Israel
Identification and structure solution of ordered U(Alx,Si(1-x))3 phase

11:20 MS17-04 Richard Beanland
The University of Warwick, UK
Determining symmetry of ferroelectric oxides at the nanometre scale using ‘digital’ electron diffraction

11:40 MS17-05 Stef Smeets
ETH Zurich, Switzerland
Using FOCUS and Superflip to solve structures from 3D electron and powder diffraction data

MS 27: Total scattering (Cinema)

Chairs: Karena Chapman (US), Michela Brunelli (FR)

10:00 MS27-01 Kirsten M. Ø. Jensen
Aarhus University, Denmark
Watching materials form: In situ total scattering studies of nanoparticle synthesis

10:30 MS27-02 Phoebe K. Allan
University of Cambridge, UK
In situ crystallographic studies of adsorption processes in functional porous materials

11:00 MS27-03 Arkadiy Simonov
ETH Zurich, Switzerland
3D-PDF as a framework for comparing different local ordering models in single crystals

11:20 MS27-04 Callum Young
University of Oxford, UK
Jahn-Teller Symmetry Switching in LaMnO3

11:40 MS27-05 Antonio Cervellino
SLS, Paul Scherrer Institut, Switzerland
Total Scattering Structure-Microstructure Study of Fe3O4/gamma-Fe2O3 Nanoparticles

Chairs: Georg Roth (DE), Louisa Meshi (IL), Karen Friese (DE)

10:00 MS36-01 Joke Hadermann
University of Antwerp, Belgium
New oxide structures through the use of lone pair cations as “chemical scissors”

10:30 MS36-02 Massimo Nespolo
Université de Lorraine, Vandoeuvre-lès-Nancy, France
Structural analysis of twinning: the example of melilite

11:00 MS36-03 Sk Imran Ali
University of Bayreuth, Germany
Synthesis, Superstructure and Vacancy-Ordering in 2H-Cu0.52TaSe2

11:20 MS36-04 Moreton Moore
Royal Holloway University of London, UK & Chiba Institute of Technology, Japan
Symmetrical structures of non-intersecting cylinders

11:40 MS36-05 Iwan Zimmerman
Stockholm University, Sweden
Stacking Faults in the Cobalt Tellurium Oxo Phosphate Chloride Co2Te3O6(PO4)Cl

Chairs: Simone Techert (DE), Marijana Dakovic (HR)

10:00 MS37-01 Tomislav Friscic
McGill University, Montreal, Canada
Solid-state Reactions by Milling and Aging: Diversity of Reactions and Opportunities for Reaction Monitoring

10:30 MS37-02 Jacqueline Cole
University of Cambridge, UK
Solar-Powered Nano-mechanical Molecular Transduction in Molecular Rotors

11:00 MS37-03 Matthew Cliffe
University of Oxford, UK
Correlated disorder and structured nanodomains in Group 4 MOFs

11:20 MS37-04 Renske van der Veen
California Institute of Technology, Pasadena, USA (now at: Max Planck Institute for Biophysical Chemistry, Göttingen, Germany)
Ultrafast Electron Microscopy: a New Tool to Study Chemical Dynamics at the Nanoscale

11:40 MS37-05 Serena Tarantino
University of Pavia, Italy
Role of Interfacial Energy and Crystallographic Orientation on the Mechanism of the ZnO + Al2O3 → ZnAl2O4 Solid-State Reaction


Thursday 29/8/2013 14:00 – Microsymposia Session 8


Chairs: Jacqueline Cherfils (FR),Remy Loris (BE)

14:00 MS8-01 Marc Delarue
Institut Pasteur, Paris, France
Structural studies of a pentameric ligand-gated ion channel

14:30 MS8-02 Savvas Savvides
Ghent University, Belgium
Cooperative assemblies of oncogenic receptor tyrosine kinases

15:00 MS8-03 Valérie Campanacci
Centre de Recherche de Gif, CNRS, Gif-sur-Yvette, France
Structure of the Legionella Effector AnkX, an Enzyme that Diverts the Small GTPase Rab1

15:20 MS8-04 Karin Kühnel
Max-Planck-Institute for Biophysical Chemistry, Göttingen, Germany
Structural and functional characterization of the two phosphoinositide binding sites of PROPPINs

15:40 MS8-05 Aude Echalier-Glazer
CNRS, INSERM, Montpellier, France
The Cop9 signalosome: Activity and regulation

MS 14: Aperiodic crystals: structure, dynamics and magnetism (Cinema)

Chairs: J. Manuel Perez-Mato (ES), Marc de Boissieu (FR)

14:00 MS14-01 Vaclav Petricek
Institute of Physics ASCR, Praha, Czech Republic,
Magnetic structures determined using Shubnikov space and superspace groups: implementation in Jana2006

14:30 MS14-02 H. Sharma
The University of Liverpool, UK
Epitaxy on quasicrystals: rotational epitaxy to single element quasicrystalline multilayers

15:00 MS14-03 Harold Stokes
Brigham Young University, Provo, Utah, USA
Irreducible representations for generating (3+d)-dimensional modulated structures

15:20 MS14-04 Kirsten Christensen
University of Oxford, UK
Molecular Modulated Structures: Rare Today, Ubiquitous Tomorrow?

15:40 MS14-05 Renald David
Université Lille, France
Crystal-Chemistry of new Low-D Ferromagnetic oxides: Influence of aperiodicity and cationic ordering on the magnetic properties

MS 19: Heavy crystals: structural crystallography of heavy-element compounds (Woods-Scawen)

Chairs: Olga V. Yakubovich (RU), Marie Colmont (FR)

14:00 MS19-01 Etienne Gaudin
CNRS, Univ. Bordeaux, France
Examples of Ordered or Disordered Ternary Intermetallics Containing Rare-earth Elements and Transition Metals

14:30 MS19-02 Oleg Siidra
St. Petersburg State University, Russia
Influence of ‘lone-pair’ cations (Pb2+, Tl+) on geometry and dimensionality of oxysalt inorganic compounds.

15:00 MS19-03 Andrzej Grzechnik
Aachen University, Germany
Crystal Structures and Stability of LiCeF5 and LiThF5 at High Pressures

15:20 MS19-04 Maria Wierzbicka-Wieczorek
Friedrich-Schiller University Jena, Germany
Novel silicates with apatite crystal structure type

15:40 MS19-05 Vadim Kovrugin
Université Lille, France. & St. Petersburg State University, Russia
Structural variety of novel Pb and Bi selenites

MS 28: Energy-related materials (Theatre)

Chairs: Radovan Cerny (CH), Bill David (UK)

14:00 MS28-01 Yuri Grin
Max-Planck-Institut für Chemische Physik fester Stoffe, Dresden, Germany
Structural features of thermoelectric materials

14:30 MS28-02 David Billing
University of Witwatersrand, Johannesburg, South Africa
Thermoresponsive behaviour of CaBPO5, SrBPO5 and H8Mn5O20P4

15:00 MS28-03 Ivana Evans
Durham University, UK
Oxide Ion Conductors for Energy Applications: Twists and Hops in the Solid State

15:20 MS28-04 Joachim Breternitz
University of Glasgow, UK
Unusual Structural Phenomena in the Reaction of Copper and Nickel Dihalides with NH3(g) at Ambient Conditions.

15:40 MS28-05 Anna Shlyakhtina
Russian Academy of Sciences, Moscow, Russia
Interstitial oxide ion conduction in (Ln2-xZrx)Zr2O7+d (Ln= Nd, Sm)

MS 30: Beyond harmonic treatment (Ensemble)

Chairs: Birger Dittrich (DE), Simon Grabowsky (AU)

14:00 MS30-01 Regine Herbst-Irmer
University of Göttingen, Germany
Anharmonic Motion in Experimental Charge Density Investigations

14:30 MS30-02 Joanna M. Bak
University of Warsaw, Poland
Treatment of anharmonic motion in X-ray wavefunction refinement

15:00 MS30-03 Sander van Smaalen
University of Bayreuth, Germany
On the ADPs of Crambin at very high resolution

15:20 MS30-04 Jozef Kozisek
Slovak University of Technology in Bratislava, Slovak Republic
Comparative study of the electron distribution in 3d-orbitals

15:40 MS30-05 Anna Hoser
University of Warsaw, Poland
Structural, energetic and charge density investigations of triptycene and its selected derivatives

MS 39: Crystallisation and crystal treatment (Studio)

Terese Bergfors (SE), Jose Gavira (ES)

14:00 MS39-01 Dominique Maes
Vrije Universiteit Brussel, Belgium
The effect of impurities and solvent viscosity on protein crystal growth.

14:30 MS39-02 Elspeth Garman
University of Oxford, UK
I am a protein crystal: get me out of here!

15:00 MS39-03 Jindrich Hasek
Academy of Sciences, Praha, Czech Republic.
Protein Crystallization Controlled by Special Adhesion Molecules

15:20 MS39-04 Takashi Kumasaka
Japan Synchrotron Radiation Research Institute (JASRI/SPring-8), Hyogo, Japan
A mounting method for fragile protein crystals using humid air and glue coating

15:40 MS39-05 Trixie Wagner
Novartis Institutes for BioMedical Research, Basel, Switzerland
GuideX: a Systematic Approach to Managing and Archiving Crystallization Data