Contents

Please click the links below to jump to the corresponding sections in the programme.

Monday 26 March, 2018   Wednesday 28 March, 2018
Young Crystallographers Group (YCG) Meeting   08:45 - 09:30 IG Plenary
13:00 - 15:00 YCG Session 1   09:30 - 10:15 Coffee and Exhibition Viewing
15:00 - 15:45 Coffee Break   10:15 - 11:45 Perovskites (PCG)
15:45 - 17:45 YCG Session 2: Failing badly   10:15 - 11:45 Surfaces and polymorph selection (CCG)
18:30 - 19:00 YCG Session 3: Flash Poster Presentations   10:15 - 11:45 Structural dynamics and time resolved crystallography (BSG)
19:00 Scientific Poster viewing and Buffet    11:45 - 13:15  Lunch and Exhibition Viewing
      11:45 - 12:15 BSG AGM
Tuesday 27 March, 2017   12:45 - 13:15  CCG AGM
08:45 - 09:15 Parkin Lecture   13:15 - 14:45 Early Career Researcher Prize Session
09:15 - 11:15 YCG Session 4: When crystals go wrong   14:45 - 15:30 Coffee and Exhibition Viewing
      14:45 - 15:15 PCG AGM
Main Meeting   15:30 - 17:00 Functional materials (PCG)
11:30 - 12:15  Lonsdale Lecture   15:30 - 17:00 Hydrates and solvates in pharmaceuticals (IG)
12:15 - 13:30 Lunch and Exhibition Viewing   15:30 - 17:00 New instrumentation (BSG)
13:30 - 14:15 PCG Plenary   17:10 - 18:00 Hodgkin Lecture
14:20 - 15:50 Computational Crystallography (PCG)   18:00 - 19:00 BCA AGM
14:20 - 15:50  Chemistry in action - time resolved crystallography (CCG)   19:30 for 20:00 Conference Dinner
14:20 - 15:50 Membrane and multi protein complexes (BSG)      
15:50 - 16:35 Coffee and Exhibition Viewing    
16:35 - 18:05 Ferroics and multiferroics (PCG)   Thursday 29 March, 2018
16:35 - 18:05 Molecular machines and rotaxanes (CCG)   08:45 - 09:30  CCG Plenary
16:35 - 18:05 Crystallisation of macromolecules (BSG)    09:30 - 10:15 Coffee and Exhibition Viewing
18:15 - 19:00 BSG Plenary    10:15 - 11:45 Neutron and synchotron techniques (PCG)
19:00 - 21:00 Scientific Poster Viewing and Buffet   10:15 - 11:45 Electron diffraction (CCG)
      10:15 - 11:45 Protein structure and human disease (BSG)
      12:00 - 13:30 Hot topics (PCG)
      12:00 - 13:30 Service crystallography forum (CCG)
      12:00 - 13:30 Ligand binding (BSG)

Monday 26 March 2018

Young Crystallographers Group (YCG) Satellite Meeting

 

YCG Sessions 1-3 will showcase the work of the next generation of crystallographers from across the BSG, CCG, PCG and IG.  We aim to provide new researchers (undergraduate to postdoctoral level) with the opportunity to present their work in a relaxed, friendly environment and to encourage discussion of their work.

 

13:00-15:00

YCG Session (1): YCG Presentations
Location: 
Lecture Theatre 4

Chair: Matthew Dunstan (University of Cambridge)

 

13:00 - 13:30: Plenary Serena Corr (University of Glasgow)

New Series of Li-rich Double Perovskites as Active Materials for All Solid-State Batteries

13.30 – 13.45: J. Sun (Agency for Science, Technology and Research (A*STAR))
Structural and functional studies of Actin Interacting Protein 5, a novel actin assembly regulator in Saccharomyces cerevisiae

13.45 – 14.00: M. O. Ladele (University of Manchester)
The use of Optical Microscopy and X-ray Powder and Single Crystal Diffraction to Identify and Structurally Characterize Novel Transition Metal Benzoates

14.00 – 14.15: A. D. Crawshaw (Diamond Light Source)
A pipeline for identifying protein nanocrystals

14.15 – 14.30: M. Camilleri (University of Malta)
Crystallographic Studies in Cultural Heritage: Solid State Behaviour of Red Ochre

14.30 – 14.45: M.C. Scicluna (University of Malta)
Crystallization Environment – Pore Size Tuning of New Covalent Organic Frameworks

14.45 – 15.00: L. Frendo (University of Malta)
An initial exploration of the crystal landscape of tolvaptan

 

15:00 - 15:45
Coffee Break

Location:  Physics and Science Concourse

  

15:45-17:45

YCG Session (2): YCG Presentations

Chair: Sam Horrell (University of Hamburg)

Location: Lecture Theatre 4

15:45 -16:15: Plenary Ivo Tews (University of Southampton)

Failing badly - of all the things that can go wrong in macromolecular crystallography

16.15 – 16.30: D. Micallef (Department of Chemistry, University of Malta)
Co-crystallisation of lanthanide complexes with compounds of commercial significance

16.30 – 16.45: R. Wilkinson (University of Warwick)
Using Structural Insights to Understand Lignin Degradation by Bacterial Enzymes

16.45 – 17.00: C. Vella (University of Malta)
pH-triggered release of gefitinib: a potent anticancer agent

17.00 – 17.15: T. Moreno Chicano (University of Essex)
Structural studies of ligand/redox states in heme-containing DyP-type peroxidases, using in crystallo spectroscopy and serial crystallography (SX) methodologies

17.15 – 17.30: L.C.F. Morgan (University of Oxford)
Improving our understanding of modulation in molecular materials

17.30 – 17.45: S.B. Mohapatra (Indian Institute of Technology Madras)
Dissecting the role of a π-helix in a thermophilic glycosyl hydrolase

 

17:45 - 18:30

YCG AGM

Location: Lecture Theatre 4

 

18:30-19:00

YCG Session (3): Flash poster presentations

Chair: Alex Cousen (University of Bath)

Location: Science and Physics Concourse

 

19:00 
Dinner, Poster and Exhibition Viewing
Location:
Physics and Science Concourse

Tuesday 27 March 2018

08:45-09:15
Parkin Lecture
Chair: Claire Hobday (University of Bath)
Location: Lecture Theatre 3

Dr Michael Gaultois (Leverhulme Research Centre for Functional Materials Design)
Setting the stage for positive interactions: framing and theming in science outreach

09:15-11:15
YCG Session (4): When crystals go wrong

Crystals, the cause of and solution to all of the problems in your PhD.  Whether your crystals consist of great big molecules, great small molecules or something in between we have all experienced problems with our crystals at some point.  This session aims to unite the worlds of macromolecular and small molecule crystallography against a common enemy, misbehaving crystals, and give you some tips and tricks to help make them behave.

Chair: Claire Hobday (University of Bath)
Location: Lecture Theatre 4

09.15 – 09.30: F. Lang (University of Sheffield)
Flexibility and solid-state transformation in silver(I) coordination polymers

09.30 – 09.45: C. G. Subash (Indian institute of Technology Madras)
Structural studies on the concomitant conformational dynamics of a catalytic loop and C-terminal domain of an archael amino acid decarboxylase

09.45 – 10.00: S. Dodsworth (University of Sheffield)
Gas Adsorption by Extrinsically Porous Molecular Crystals of Chromium Oxo-centred Trinuclear Clusters

10.00 – 10.15: H. Williams (Keele University)
Structural studies of ligand recognition by FIBCD1

10.15 – 10.45: Keynote (1) Prof. Elspeth Garman (University of Oxford)
The good, the bad and the ugly: macromolecular crystals in all their glory

10.45 – 11.15: Keynote(2) Dr John Claridge (University of Liverpool)
Interesting problems: aperiodicy, homometry and twining in materials

 

11:15 - 11:30
Coffee Break and Exhibition Viewing

Location: Physics and Science Concourse

 
Main Meeting


11:30-12:15

Lonsdale Lecture

Location: Lecture Theatre 3

Chair: Matthew Dunstan (University of Cambridge)

 

Bill Clegg (Newcastle University)
Distortions, deviations and alternative facts: reliability in crystallography

 

12:15 - 13:00
Lunch and Exhibition Viewing
Location: Physics and Science Concourse


13:30-14:15

PCG Plenary

Location: Lecture Theatre 3

Chair: Andrew Goodwin (University of Oxford)

Prof. Nicola Spaldin (ETH Zurich)
From Materials to Cosmology: Studying the early universe under the microscope

 
14:20-15:50

Computational crystallography (PCG 1)

Location: Lecture Theatre 5

Chair:  John Claridge (University of Liverpool)


Computational techniques are important in both materials discovery and the understanding of the origin of their physical properties, particularly when combined with crystallographic studies. This session is devoted to computational structure prediction and materials “design” as well as the combination of computational techniques with experimental studies.

14:20 - 15:50: Keynote M.S. Dyer (University of Liverpool)
Combining computational structure prediction and experimental crystallography in the discovery of complex oxides
14.50 – 15.10: W.A. Slawinski (ISIS Facility, Rutherford Appleton Laboratory)
RMCProfile 7: New Features Enabling New Science
15.10 – 15.30: J.M. Skelton (University of Bath)
Phonon anharmonicity and structural dynamics in solids
15.30 - 15.50: C.R. Taylor (University of Southampton)
Computational Co-crystal Structure Prediction: Quantifying Thermodynamic Stability


14:20-15:50

Chemistry in action (time resolved crystallography) (CCG 1)
Location: Lecture Theatre 3

Chair: Claire Murray (Diamond Light Source)


The inherently active nature of chemical reactions means crystallography is perfectly placed to (quite literally) shed light on how molecules move, bonds break and structures stretch or shrink. This session will explore cutting edge experiments being explored in labs and at central facilities as well as advances in in situ insight.

 

14:20 - 14:50: Keynote Sam Chong (University of Liverpool)
In situ
diffraction studies of porous molecular crystals 

14:50 - 15:10: L.K. Saunders (Diamond Light Source)
Tracking hydrogen atom transfer by Parametric single crystal refinement  

15:10 - 15:30: L.K. Hatcher (University of Bath)
Photocrystallographic kinetic studies using time-resolved diffraction methods on Beamline I19 at Diamond Light Source 

15:30 - 15:40: L.E. Wayment (University of Bath)
In situ continuous segmented flow crystallisation at Diamond Light Source 

15:40 - 15:50: D Watkins (University of Sheffield)
Continuous Flexibility of a Hexagonal Metal-Organic Framework


14:20-15:50

Membrane and multi protein complexes (BSG 1)
Location:
Lecture Theatre 4

Chair: Alex Cameron (University of Warwick)/Kostas Beis (Imperial College)

14:20 - 15:10: Keynote Simon Newstead (University of Oxford)
Understanding ligand recognition in membrane transporters

14.50 – 15.10: A. Crow (University of Warwick)
Mechanotransmission Mechanism of the MacB ABC Transporter

15.10 – 15.30: Y. Dong (University of Oxford)
Structures of DPAGT1 – the gatekeeper of N-glycosylation

15.30 – 15.50: C. Millard (University of Leicester)
Assembly and chromatin targeting of an HDAC-containing corepressor complex

 

15:50 - 16:35
Coffee Break and Exhibition Viewing

Location: Physics and Science Concourse


16:35-18:05

Ferroics and multiferroics (PCG 2)
Location:
Lecture Theatre 5

Chair: Mark Senn (University of Warwick)


Ferroics are a technologically important class of materials that include ferromagnets, ferroelectrics, and ferroelastics. This session is devoted to experimental and theoretical studies that explore the relationship between structure and ferroic properties. Abstracts for talks exploring the coupling between different ferroic orderings in multiferroic materials are particularly encouraged.

 

16:35 - 17:05: Keynote Phillipe Ghosez (University of Liege)
Multifunctional perovskite oxides : what can we learn from the atomic structure?

17:05 - 17:25: F. Orlandi (ISIS pulsed neutron facility)

Multiferroic phase diagram of the Pb2Mn1-xCoxWO6 solid solution

17:25 - 17:45E.H. Wolpert (University of Oxford)
Hybrid Local-Order Mechanism for Inversion Symmetry Breaking

17:45 - 18:05: G. Perversi (University of Edinburgh)
Unconventional magnetic order in GeFe2O4


16:35-18:05

MOFs, molecular machines, rotaxanes and supramolecular chemistry (CCG 2)
Location:
Lecture Theatre 3

Chair: Stephen Moggach (University of Edinburgh)

 
Following the Nobel Prize awarded to Feringa, Sauvage and Stoddart in 2016, this session will highlight recent advances in the areas of MOFs, rotaxanes, molecular machines and supramolecular chemistry, encapsulating the research carried out by these nobel prize winners.  These fascinating materials and their properties will be the cornerstone of the session, highlighting the role of crystallography in the analysis and development of these research areas

 

16:35 - 17:05: Keynote Dr Paul McGonigal (Durham University)
Excited-State Aromatic Interactions in the Aggregation-Induced Emission of Molecular Rotors

17.05 – 17.25: C. Hobday (University of Bath)
Combined experimental and computational study of a novel interpenetrated MOF- STA-26

17.25 - 17.45: J Vallejo (University of Edinburgh)
Paramagnetic Metallosupramolecular Coordination

17.45 – 18.05: C. Wilson (University of Glasgow)
Postsynthetic bromination of Zr UiO-66 analogue MOFs leading to mechanical changes

 

16:35-18:05

Crystallisation of macromolecules (BSG 2)

Location: Lecture Theatre 4

Chair: Naomi Chayen (Imperial College)

 

The past two decades have seen remarkable advances in the miniaturisation, automation and analysis of crystallization experiments. However, production of high quality crystals of proteins and other bio macromolecules persistently remains a major hurdle to structure determination. The focus of this session is on strategies, techniques and tools for obtaining useful crystals for x-ray crystallography.


16:35-17:05: 
Keynote Terese Bergfors (Uppsala University)
Looking for the needle in a haystack: protein crystallization screening strategies for academic laboratories
17.05 – 17.25: 
James Birtley (University of Massachusetts Medical School)

Relieving the bottleneck: simple and rapid optimization of protein crystals using only sparse matrix screens
17.25 – 17.45: E.A. Blackburn (University of Edinburgh)
Towards obtaining crystals of lymphostatin - a giant virulence factor from pathogenic E.coli
17.45 – 18.05: E. Garmen (University of Oxford)
To cross seed or not to cross seed? That is the question.


18:15-19:00

BSG Plenary

Chair: Elspeth Garman (University of Oxford)
Location: Lecture Theatre 3

Prof. Ilme Schlichting (MPI Heidelberg)
Protein structure and dynamics using X-ray free-electron lasers


19:00-21:00

Poster Session 

Buffet supper, exhibition and poster viewing
Location: Physics and Science Concourse

 

Wednesday 28 March 2018


08:45-09:30

IG Plenary
Location: Lecture Theatre 3
Chair: Helen Blade (AstraZeneca)

 

Prof. Susan Reutzel-Edens (Eli Lilly)
Predicting Polymorphism: Prospects, Progress and Perspectives

 

09:30 - 10:15
Coffee and Exhibition Viewing

Location: Physics and Science Concourse

 

10:15-11:45

Perovskites (PCG 3)

Chair: Mike Glazer (University of Oxford)
Location: Lecture Theatre 5


The study of perovskites has been of increasing interest in the last 30-40 years, since they show such a large range of useful physical properties. The number of publications has been growing exponentially (approximately 22400 in 2016!). The latest discoveries centre around the discovery that so-called hybrid perovskites show a highly efficient photovoltaic effect, thus making them candidates as inexpensive solar cells. This session is devoted to the structures and properties of perovskites and perovskite-related materials.


10:15-10:45: Keynote Patrick Woodward (Ohio State University).
Structural distortions in perovskites: Three case studies where size matters

10:45 - 11:05: H. Boström (University of Oxford)
Orbital degrees of freedom in molecular perovskites

11:05 - 11:25: M.S. Senn (University of Warwick)
A Group-theoretical Approach to Enumerating Magnetoelectric and Multiferroic Couplings in Perovskites

11:25 - 11:45: P. Manuel (ISIS Pulsed Neutron Facility)
Solving unusual magnetic structures from novel high pressure perovskites by pulsed neutron diffraction


10:15-11:45

Surfaces and polymorph selection (CCG 3)

Chair: Iain Oswald (University of Strathclyde) and Cheryl Doherty (Pfizer)
Location: Lecture Theatre 3


Surfaces play a significant role in phase transformations and isolation of new polymorphic forms of materials. Whether it is through nucleation of pharmaceuticals on heterogeneous surfaces, or through the use of seeds to isolate new polymorphic forms, surfaces and their interaction with the molecule of interest pose key questions that are fundamental for us to manipulate the solid state.  This session will explore the advances in our understanding of the role of surfaces on the isolation of particular polymorphs.

 

10:15 - 10:45: Keynote Jerry Heng (Imperial College, London)

10.45 – 11.05: R.A. Lunt (University of Bath)
Establishing the selective crystallisation of a metastable polymorph of a multi-component crystal system.
11.05 – 11.25: D. Case (UCL)
New polymorphs from computationally generated templating experiments
11.25 – 11.45: E. Skoko (University of Zagreb)
Oxitropium bromide and methylscopolamine bromide - two similar systems exhibiting very different thermosalient effect


10:15-11:45

Structural dynamics and time-resolved crystallography (BSG 3)

Chair: Mike Hough (University of Essex)

Location: Lecture Theatre 4


Macromolecular crystallography typically provides structures that are averaged over many molecules and over the time taken to measure the diffraction data. However, proteins are dynamic, sample many functionally-relevant conformations, and undergo time-dependent structural change, e.g. through an enzymatic cycle or signalling pathway. This session will focus on the exciting science made possible by developments in structural dynamics and time-resolved X-ray crystallography using synchrotron and free-electron laser sources. Contributions describing these and other structural time-resolved methods or computational simulations are welcomed.

 

10:15-10:45 Keynote Dr. Jörg Standfuss (Paul Scherrer Institute)

Time-resolved Serial Crystallography of Bacteriorhodopsin using Synchrotrons and X-ray Lasers

10.45 – 11.05: S. Horrell (University of Hamburg)
Back to The Future at PETRA III: A dedicated Time-Resolved Crystallography Beamline
11.05 – 11.25: J.J. van Thor (Imperial College)
Ultrafast X-ray Crystallography of Photoisomerisation

11.25 – 11.45: S. Khalid (University of Southampton)

Molecular Dynamics Simulations of Bacterial Membranes: Successes, Limitations and Outlook for the Future

 

11:45 - 13:15
Lunch and Exhibition Viewing
Location: 
Physics and Science Concourse

 

11:45 - 12:15
BSG AGM
Location: Lecture Theatre 4

 

12:45 - 13:15
CCG AGM
Location: Lecture Theatre 3

  

13:15 - 14:45
Early Career Researcher Prize Session
Location: Lecture Theatre TBC
CCDC - CCG Prize
BSG Prize
IG - YCG Prize
PCG Prize

14:45 - 15:30
Coffee and Exhibition Viewing
Location: Physics and Science Concourse

14:45 - 15:30
PCG AGM
Location: Lecture Theatre 5


15:30-17:00

Functional materials (PCG 4)

Chair: Helen Playford (Warwick/ISIS)
Location: Lecture Theatre 3


Much of current research effort in materials science is targeted towards improving functional materials to meet the increasingly complex demands of modern society. However, this can only be done in a rational manner if the structural origins of desirable properties are understood. The focus of this session is on the use of state-of-the-art crystallography to determine structure/property relationships in functional materials, including catalysts, batteries, fuel cells, etc.

 

15:30 - 16:00: Keynote Richard Walton (University of Warwick)
Functional Oxides from Solvothermal Synthesis
16.00 – 16.20: H. Duncan (University of Edinburgh)
Enhancing magnetic properties of molecular magnets via application of pressure
16.20 – 16.40: M.T. Dunstan (University of Cambridge)
Oxygen ion dynamics in doped bismuth oxides studied using high-temperature solid-state NMR
16.40 – 17.00: A. R. Pallipurath (University of Bath)
Structural origins of colour: polymorphism and themochromism

 


15:30-17:00

Hydrates and solvates in pharmaceuticals (IG)

Chair: Helen Blade (AstraZeneca) and Spoorthy Dharmayat (GSK)
Location: Lecture Theatre 5


Crystalline solvates or hydrates are frequently encountered within the pharmaceutical field and the development of functional medicines requires the need for a thorough understanding of their structural aspects along with the mechanisms of their formation and desolvation. The aim of this session is to link the critical factors important in building an understanding of solvated systems to mitigate the problems encountered when developing a solvate or a material that readily solvates. Such an understanding can be used to devise control strategies during handling, processing and storage to ensure that the desired functionality of the medicine can be achieved and maintained.

15:30 - 16:00: Keynote Amy Robertson (AstraZeneca)
Pharmaceutical Hydrates – What’s the Problem?
16.00 – 16.20: D.E. Braun (University of Innsbruck)
Supramolecular Organisation of Nonstoichiometric Drug Hydrates: Dapsone
16.20 – 16.40: M.N. Bin Mohd Najib (School of Pharmacy Queen's University Belfast)
Extensive hydrate and solvate formation of the antiallergic compound tranilast
16.40 – 17.00: P.A. Wood (CCDC)
Organic hydrates: chemistry, H-bonding and packing


15:30-17:00
New instrumentation (BSG 4)

Chairs: Pierre Aller (Diamond Light Source) and Anna Warren (Diamond Light Source)
Location: Lecture Theatre 4

Crystallisation is often the bottleneck when it comes to obtaining a crystallographic structure, due to the difficulties in obtaining crystals of suitable size for diffraction experiments. To overcome issues of getting decent sized crystals or crystals in the first instance, new instrumentation and techniques are being developed to help the user community get the most out of their samples. New beamlines at synchrotrons are maturing to accommodate smaller and smaller crystals for either regular crystallography or serial crystallography. XFEL instruments, cryoEM and microED are becoming more popular as either an alternative to regular crystallography or to obtain complementary data. This session will focus on the scientific opportunities offered by the development of new instrumentation, and how these are aiding the crystallographic community.

15:30-16:00: Keynote: Tim Grüene (Paul Scherrer Institute)
Application of 3D Electron Diffraction to Organic and Macromolecular Crystallography
16.00 – 16.20: V. Mykhaylyk (Diamond Light Source)
Forays into long-wavelength protein crystallography at Diamond Light Source
16.20 – 16.40: F. Gorrec (MRC Laboratory of Molecular Biology)
Automated Protocols for Macromolecular Crystallization at the MRC Laboratory of Molecular Biology
16.40 – 17.00: J. Trincao (Diamond Light Source)
VMXm - the new micro/nanofocus macromolecular beamline at Diamond Light Source



17:10-18:00

Hodgkin Lecture 

Chair: Lee Brammer (University of Sheffield)
Location:
Lecture Theatre 3

Prof. Eleanor Dodson (University of York)

The Joy of Seeing – in Honour of Dorothy Hodgkin

 

18:00 - 19:00
BCA AGM
Location: Lecture Theatre 3

 

19:30 for 20:00
Conference Dinner
Location: Panorama Suite


Thursday 29 March 2018


08:45-09:30

CCG Plenary

Location: Lecture Theatre 3

Prof. Jonathan Nitschke (University of Cambridge)
Crystallographic snapshots of soluble metallosupramolecular capsules

09:30 - 10:15
Coffee and Exhibition Viewing
Location: Physics and Science Concourse

10:15-11:45
Neutron and synchrotron techniques (PCG 5)
Location:
Lecture Theatre 5

Chair: Anthony Phillips (Queen Mary University of London)

The range of experiments available at central facilities goes far beyond traditional diffraction measurements. This session will focus on techniques that take advantage of modern instruments and enhance or complement our understanding of crystallographic data. Such techniques might include magnetic X-ray scattering, anomalous scattering, small-angle scattering, total scattering, and X-ray and neutron spectroscopy.

10:15-10:45: Keynote John Duffy (University of Warwick)
Spin-resolved momentum densities:What we can learn from magnetic Compton scattering
10.45 – 11.05: C. Murray (Diamond Light Source)
Diamond’s Biggest Outreach Project: 1000 Samples, 100 Schools, 1 Great Big Experiment
11.05 – 11.25: N. P. Funnel (STFC, ISIS Neutron Facility)
High-pressure neutron measurements of the highly-polymorphic 'ROY'
11.25 – 11.45: L.E. I. Ding (Rutherford Appleton Laboratory, STFC)
Unraveling the complex magnetic structure of multiferroic pyroxene NaFeGe2O6

 

 

10:15-11:45
Electron diffraction (CCG 4)

Location: Lecture Theatre 3

Chair: Andrew Stewart (University of Limerick)

This session will explore the application of electron diffraction techniques to solving a broad range of crystallographic problems for small molecule crystallographers. Electron diffraction is a very versatile tool, with multiple modes which can be utilised to explore the nano world. Electron diffraction tomography (EDT) mimics X-ray crystallography at the nanoscale for ab initio structure solution of unknown crystals. Nano beam diffraction (NBD) can be used to identify individually nano scale crystals, whereas convergent beam electron diffraction (CBED) enables the study of crystal defects and accurate determination of crystal symmetries. While scanning electron diffraction (SED) facilitates the study of polycrystalline materials, via mapping of grain orientations, identification of multiple phases in a specimen, as well as stress and strain measurements within crystalline materials. 

10:15 - 10:45: Keynote: Xiaodong Zou (University of Stockholm)
Automated Electron Diffraction Techniques for Ab Initio Structure Determination
10.45 – 11.05: A. J. M. Hubert (University of Warwick)
Isotropic Debye-Waller factor measurements for Cu, SrTiO3 and GaAs using digital electron diffraction
11.05 – 11.25: R. Beanland (University of Warwick)
Looking for the Potential in Digital Large-Angle Electron Diffraction Patterns
11.25 – 11.45: A. S. Galanis (NanoMEGAS SPRL)
New materials characterization by TEM scanning precession electron diffraction in combination with e-PDF in situ analysis at pico scale

 

10:15-11:45
Protein structure and human disease (BSG 5)
Location:
Lecture Theatre 4

Chair: Svetlana Anonyuk (University of Liverpool)

Changes in protein structure are associated with many human diseases. Whether studying familial disease, viral invasion or drug resistance, proteins are at the centre of nearly all therapeutic strategies. The focus of this session is on recent discoveries in targeting proteins to alter neurodegeneration in ALS, Alzheimer’s and Parkinson’s diseases, to understand disease mechanisms, to prevent adverse drug reactions, and recover from viral and parasitic invasion or antibiotic resistant bacteria.

10:15 - 10:45: Keynote Ravi Acharya (University of Bath)
Molecular functions of human Angiogenin
10.45 – 11.05: J. Madine (University of Liverpool)
Specificity, mechanism and folding of BLF1, a glutamine deamidase toxin that inhibits protein translation.
11.05 – 11.25: A. A. Bin Abd Aziz (University of Sheffield)
Targeting amyloid formation in human disease; a multidisciplinary approach
11.25 – 11.45: E. Rodina (Moscow State University)
The structure of N-terminal domain of yeast TERT and its implications for the function of telomerase

 

12:00-13:30
Hot topics (PCG 6)
Chair: Jan-Willem Bos 
(Heriot-Watt University)
Location: Lecture Theatre 5

Session covering hot topics in physical crystallography not covered by the other session themes. This could for example focus on new developments in instrumentation and data analysis or studies of “hot” materials.

12:00 - 12:30: Keynote F. Morrison (St Andrews University)
Crystallography of Ferroelectrics: topology, disorder and implications for domain structures
12.30 – 12.50: L. R. Owen (University of Cambridge)
A consideration of two of the core principles of High-Entropy Alloys
12.50 – 13.10: O. T. Oluwafemi (Sheffield Hallam University)
X-ray diffraction detectionof nano-clusters in the meta-stable expanded austenite phase of nitrided austenitic stainless steel
13.10 – 13.30: A. E. Phillips (Queen Mary, University of London)
Magnetic excitations in the hybrid metal formate perovskites

12:00-13:30
Service crystallography forum (CCG 5)
Chair: William Lewis (University of Nottingham)
Location: Lecture Theatre 3

A large proportion of published crystal structures are collected by service crystallographers. This session will offer an opportunity to share and discuss common issues and best practices encountered in a modern crystallography laboratory.

12:00-12:30: Keynote: Amber Thompson (University of Oxford)
When are Bad Data Good Data?
12.30 – 12.50: D. R. Allan (Diamond Light Source)
Remote access on beamline I19: a new approach for structural chemistry studies
12.50 – 1310: H. Puschmann (OlexSys / Durham University)
Hirschfeld Atom Refinement from Olex2: Too good to be true?
13.10 – 13.30: G. S. Nichol (The University of Edinburgh)
An Edinburgh experience of CSD Communications: publishing the unpublished via an undergraduate project


12:00-13:30
Ligand Binding (BSG 6)
Chair: Atlanta Cook
(University of Edinburgh)
Location: Lecture Theatre 4

The binding of ligands (peptides, nucleic acids, small molecules) to proteins is essential for the formation of protein complexes, allostery, enzyme catalysis and signalling. In turn, the ability of proteins to bind other molecules very specifically is exploited in drug discovery. Structural studies of ligand bound complexes are essential to understanding the rules of recognition and specificity, which will be the focus of this session.

12:00-12:30: Keynote Richard Bayliss (University of Leeds)
Structures that illuminate Aurora-A kinase
12.30 – 12.50: N.J. Tatum (Newcastle University)
Binding Mode Selectivity Elucidated by Relative Binding Energies: A Pilot Study in EthR
12.50 – 13.10: I. Tews (University of Southampton)
Cholesteryl esters are a new class of ligands for lipid antigen presentation by CD1c proteins
13.10 - 13.30: F. Bono (LSI)
Mechanisms of dsRNA recognition in RNA localisation

Close of Conference