Diamond User Meeting


Overview of MX facilities

Dave Hall

Associated Event


Early experiences from VMXm user programme

Gwyndaf Evans

Associated Event


An introduction to HeXI: The high-energy electron crystallography Instrument at Diamond Light Source

Pedro Nunes

Associated Event


I23 update

Chris Orr

Associated Event

14:35 – 14:50

Sample delivery techniques to perform time resolved serial crystallography at Diamond and XFEL

Anastasya Shilova

Associated Event

14:50 – 15:15


15:15 – 15:30

New avenues in room temperature crystallography at VMXi

Mike Hough

Associated Event

15:30 – 15:45

Taking your samples further with I24 – Current and future capabilities for micro and serial crystallography

Danny Axford

Associated Event

15:45 – 16:00

Crystallographic fragment screening and structure-enabled hit-to-lead development at XChem

Daren Fearon

Associated Event

16:00 – 16:30

Discussion led by DUC representatives

Arnaud Basle, David Briggs

Associated Event

16:30 – 17:30


16:30 – 17:30

CCP4 WG1 meeting

Members Only

1. Integrative structural biology

17:30 – 18:00

Linking structural biology data sources to tackle Alzheimer’s

Monserrat Soler-Lopez

18:00 – 18:45

Structural biology data sources – round table discussion

Gerard Bricogne, Sameer Velankar, Loes Kroon-Batenburg, Dave Stuart, Jim Naismith, Kristina Djinovic-Carugo, Annalisa Pastore



19:00 – 21:00

Networking Event & Poster Session

What's New in CCP4

09:00 – 09:10

What's New in CCP4

Ville Uski

09:10 – 09:25

New features for electron diffraction in DIALS

David Waterman

09:25 – 09:40

xia2/DIALS for processing SSX data

James Beilsten-Edmands 

09:40 – 10:05

Annotation, validation, refinement, and modeling of nucleic acid structures

Jiří Černý

10:05 – 10:30

What's New in CCP4 Cloud 

Maria Fando 



2. Fundamentals of crystallographic data

11:00 – 12:30


What is data?

Graeme Winter


An educational introduction to the statistics we use to judge and compare data sets. 

Greta M. Assmann


State-of-the-art scaling and merging

Kevin Dalton


Past, present, and future challenges of multi-crystal data

Richard Gildea

12:30 – 14:00


Lunchtime Bytes

13:15 – 14:00


Stuart McNicholas


Rob Nicholls

Overview of CCP-EM software suite: current & future

Tom Burnley

Nucleic acids in Coot

Michal Malý

Paired refinement with PAIREF

Martin Malý and Petr Kolenko

Simulation of electron diffraction pattern of organic structures

Tarik Drevon

Molecular Replacement in CCP4 using predicted models

Ronan Keegan

Privateer: software for the validation of carbohydrates in glycoprotein models

Haroldas Bagdonas

3. Fundamentals of samples and the experiment

14:00 – 15:30

Data collection strategies and processing pipelines for the 21st Century

Ralf Flaig

Quantifying radiation damage in protein crystal structures

Kathryn Shelley

Be prepared. Good data from good sample preparation

Maria Garcia

Spice up your diffraction data using high-pressure macromolecular crystallography as ancillary technique

Phillippe Carpentier

15:30 – 16:00


4. Choosing your source

16:00 – 17:30

Microbial and Antimicrobial Amyloids in Infections and Neurodegeneration

Meytal Landau

From femtoseconds to minutes: TR serial protein crystallography at XFELs and synchrotrons

Antoine Royant

Capabilities of a modern "home" source

Arnaud Basle

Structure Determination of Macromolecules by MicroED

Hongyi Xu

17:30 – 19:00


Virtual Lunchtime Bytes

17:30 – 18:15

Verification in ARCIMBOLDO with predicted models

Elisabet Jiménez Mellado and Isabel Uson.

PDB-REDO/AlphaFill Q&A

Robbie Joosten 


Pavol Skubak 

Protein model sequence identification and validation with findMySequence

Grzegorz Chojnowski

19:00 – 00:00

Dinner + social

5. Big data

09:00 – 10:30

On Demand video includes the following sessions:

  1. Big Data
  2. Between the Bragg spots

ExaFEL – exascale computing for SFX data processing

Derek Mendez

Robust statistics for serial crystallography data processing

Marjan Hadian-Jazi

Time-resolved crystallography data wrangling

Briony Yorke

The data behind the cryo-EM structure, the microscope behind the data.

Kyle Morris

10:30 – 11:00


6. Between the Bragg spots

11:00 – 12:30

On Demand video includes the following sessions:

  1. Big Data
  2. Between the Bragg spots

Dealing with Aperiodic Protein Crystal Structures

Gloria Borgstahl

Analysing beyond your expectations – opportunities for better data and models

Clemens Vonrhein

Things you don’t want to see in your data – and what could be done.

Andrey Lebedev

Observing dynamics in proteins from diffuse scattering

Steve Meisburger

12:30 – 14:00


Lunchtime Bytes

13:15 – 14:00


Stuart McNicholas


David Waterman


Paul Bond

Teaching crystallography with web-based teaching tools

Kathryn Cowtan

CCP4 Cloud

Maria Fando and Eugene Krissinel

Molecular Replacement with SliceNDice

Adam Simpkin

Coot 1: Graphics and Refinement

Lucrezia Catapano

7. A new era in structural biology

14:00 – 15:30

CASP15 and the changing landscape of new generation structure prediction

Dan Rigden

Combining time-resolved techniques to decipher protein dynamics

Sylvain Engilberge

Prediction-based tools for experiment preparation and post-experiment perspective

Isabel Uson

AlphaFill: adding metals, ligands and cofactors in AlphaFold model

Anastassis Perrakis