6th – 8th January 2027
Diamond MX User meeting
Scientific Organisers:
- Pierre Aller (Diamond Light Source, UK)
- Adam Crawshaw (Diamond Light Source, UK)
- Ralf Flaig (Diamond Light Source, UK)
11:00-11:05
Welcome by DUC representatives
Colin Levy – University of Manchester UK, Jose Artur Brito – University of Central Lisbon PORTUGAL
11:05 – 11:30
General MX & D-II Update
Dave Hall Diamond Light Source, UK
11:30 – 11:50
Exploiting Siderophore-Mediated Transport to Overcome the Gram-Negative Bacterial Barrier
Lucile Moynie Rosalind Franklin Institute, UK
11:50 – 12:10
VMXm: Small Crystals
Mohinder Pal University of Kent, UK
12:10 – 12:25
Flash beamline updates – VMXm, MPL & I23
Anna Warren – Diamond Light Source UK, Andrew Quigley – Diamond Light Source UK, Kamel El Omari – Diamond Light Source UK
12:25 – 13:10
Lunch
13:10 – 13:30
XChem: Fragments
Erika Mancini University of Sussex, UK
13:30 – 13:50
I04: Focusing on the Science – 'I04, ACE! Crystallographic studies of angiotensin I-converting enzyme'
Kyle Gregory University of Bath, UK
13:50 – 14:10
VMXi: The Diamond MX Pipeline
14:10 – 14:35
Flash beamline Updates – I03/UDC, I04, VMXi & Xchem
Colin Levy – University of Manchester, UK, David Aragao – Diamond Light Source, UK, Mike Hough – Diamond Light Source, UK, Fiona Sorrell – Diamond Light Source UK
14:35 – 15:00
Coffee break
15:00 – 15:20
DLS: Making the most of the green ticks in data processing
Nick Devenish Diamond Light Source, UK
15:20 – 15:35
Flash Beamline updates – I24, XFEL Hub & HeXI
Robin Owen – Diamond Light Source UK, Matt Rodrigues – Diamond Light Source UK, Samuel Foster – Diamond Light Source UK
15:35 – 15:40
Training Opportunities
Adam Crawshaw Diamond Light Source, UK
15:40 – 16:00
DUC Discussion
Colin Levy – University of Manchester UK, Jose Artur Brito – University of Central Lisbon PORTUGAL
16:00 – 17:30
Break
16:00 – 17:30
CCP4 WG1 meeting
Session 1
17:30 – 18:15
Key note talk – Metalloenzyme structure & function revealed by leveraging large kinetic isotope effects and time-resolved crystallography & spectroscopy
Allen Orville – Diamond Light Source, UK
18:15 – 19:00
Panel discussion
"What are the major challenges and opportunities for the future of time-resolved crystallography" – round table discussion
Arwen Pearson (Chair) – University of Hamburg GERMANY Monika Bjelcic – MAX IV Sweden, James Holton – Lawrence Berkley National Laboratory USA, Allen Orville – Diamond Light Source UK
19:00 – 23:00
Networking event including street food and poster session
What's New in CCP4?
09:00 – 09:15
Ville Uski
09:15 – 09:25
09:25 – 09:50
09:50 – 10:10
10:10 – 10:30
10:30 – 11:00
Break
Session 2
Facilities for time-resolved crystallography
11:00 – 11:30
Investigating macromolecular dynamics at Diamond Light Source
Sofia Jaho
11:30 – 11:50
Investigating macromolecular dynamics at ALBA
11:50 – 12:10
Investigating macromolecular dynamics at MAX IV
Monika Bjelcic MAX IV, Sweden
12:10 – 12:30
Investigating macromolecular dynamics at Paul Scherrer Institut
Camila Bacellar – Paul Scherrer Institute, SWITZERLAND
12:30 – 14:00
Lunch
Lunchtime Bytes – In person only
13:00 – 14:00
13:00 – 14:00
13:00-14:00
13:00-14:00
13:00-14:00
13:00-14:00
13:00-14:00
13:00-14:00
Session 3
Following metalloproteins
14:00 – 14:30
Metalloproteins – Structural analysis and spectroscopy
Armin Wagner – Diamond Light Source, UK
14:30 – 14:50
Metalloproteins – Structural analysis and spectroscopy
Patrick Rabe University of Oxford, UK
14:50 – 15:10
Investigating macromolecular dynamics – Combining serial crystallography and spectroscopy
Samuel Rose – ESRF, FRANCE
15:10 – 15:30
Metalloproteins – Structural analysis and spectroscopy
Ella Wheatley University of Leicester, UK
15:30 – 16:00
Break
Session 4
Data reduction the age of serial crystallography
16:00 – 16:30
Data processing in serial crystallography – CrystFEL
Thomas White – DESY, GERMANY
16:30 – 17:00
Data processing in serial crystallography – DIALS
James Beilsten-Edmands – Diamond Light Source, UK
17:00 – 17:30
Data processing in serial crystallography – DIALS
David Mittan-Moreau – Lawrence Berkeley National Laboratory, USA
17:30 – 18:00
Improving macromolecular structure refinement with metal-coordination restraints – MetalCoord
Kaveh Babai – Baku State University, Azerbaijan
18:00 – 19:00
Break
19:00 – 00:00
Conference Dinner + social including Ceilidh by "Knitter's Jig", Board Games café and Dance mat Video Games
Session 5
Challenges in Refinement – ensembles, partial states.
09:00 – 09:30
Macromolecular model refinement – REFMAC5, Servalcat
Garib Murshudov – UKRI-MRC-LMB, UK
09:30 – 09:50
Macromolecular model refinement – Phenix
Pavel Afonine – Lawrence Berkley National Laboratory, USA
09:50-10:10
Macromolecular model refinement – Buster
Clemens Vonrhein – Global Phasing Ltd, UK
10:10 – 10:30
Macromolecular model prediction and refinement – ROCKET
Alisia Fadini – Columbia University, USA
10:30 – 11:00
Break
Session 6
Emerging techniques for time-resolved experiments
11:00 – 11:30
Investigating macromolecular dynamics – Time-resolved methods
Stephen Muench – University of Leeds, UK
11:30 – 11:50
Microsecond time-resolved cryoEM using 3 μm pulsed laser revitrification in liquid ethane
Biplob Nandy UKRI-MRC LMB, UK
11:50-12:10
Multiplexing methods in dynamic protein crystallography – HATRX
Yelyzaveta Pulnova – ELI Beamlines, Dolní Břežany, CZECHIA
12:10 – 12:30
Implementing electric field-stimulated X-ray crystallography to observe time-resolved protein dynamics
Margaret Klureza – University of Hamburg, GERMANY
12:30 – 13:00
Lunch
Lunchtime Bytes – In person only
13:00 – 14:00
13:00 – 14:00
13:00 – 14:00
13:00 – 14:00
13:00 – 14:00
13:00 – 14:00
13:00 – 14:00
Session 7
Complementary computational techniques
14:00 – 14:30
Macromolecular model refinement and density maps calculation – Advanced approaches
James Holton – University of California in San Fransico (UCSF)
14:30 – 14:50
Data Quality Improvement via Remediation at the PDB
Jasmine Young – RCSB, USA
14:50 – 15:10
Investigating macromolecular dynamics – Statistical methods in crystallography
Thomas J Lane – DESY, GERMANY
15:10 – 15:30
Investigating hydrogen bonding networks in protein structures – Hydrogen bonding networks
Helen Ginn – University of Hamburg, GERMANY
15:30 – 16:00
Round up and close
Scientific Organisers
