Programme - MCCS-2023   (if you don't see a menu on the left, use this link)
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MCCS-2023 Programme - Instituto de Química-Física "Rocasolano", CSIC,  8-12 May 2023

Monday 8th Tuesday 9th Wednesday 10th Thursday 11th Friday 12th
08:30 -
09:00h
Principles of X-ray Crystallography

Dr. M. Martinez-Ripoll
Presentation
Serial Crystallography at Synchrotron

Dr. K. Diederichs
Presentation
PHENIX. Refinement and validation
Dr. P. Afonine (60‘)
Presentation-1 / Presentation-2
Presentation-3

Phasing (MR and experimental) and density modification
Dr. T. Terwilliger (60’)
Presentation
REFMAC and tools for low resolution refinement

Dr. R. Nicholls
Presentation
Automated pipelines for drug discovery at synchrotron

Dr. J. Márquez
09:00- 09:30h
09:30- 10:00h Principles of cryo-EM

Dr. J.M. Carazo
Presentation
10:00- 10:30h
10:30- 11:00h Coffee break Coffee break Coffee break Coffee break Coffee break
11:00- 11:30h Production of protein samples for crystallization, cryo-EM and other biophysical techniques

Dr. M. Solá
Presentation
General overview about SHELX & ARCIMBOLDO

Dr. I. Usón
Presentation
Solving a cryo-EM structure with PHENIX & AlphaFold prediction. Step-by-step solution; automatic solution with PredictAndBuild

Dr. P. Afonine

Dr. T. Terwilliger
Link to several tutorials
Workshop on REFMAC

Dr. R. Nicholls
Hands on the integration of high-resolution data into the drug discovery pipelines at CCDC.

Dr. R. Chikhale
11:30- 12:00h
12:00- 12:30h
12:30- 13:00h Free-time
for lunch
Free-time
for lunch
Free-time
for lunch
Free-time
for lunch
Free-time
for lunch
13.00-
13.30h
13.30-
14.00h
Data collection. Considerations and compromises

Dr. K. Diederichs
Presentation
PHENIX tools for
crystallography and
cryo-EM
Dr. P. Afonine (60‘)
Presentation

Structure solution in
the AlphaFold era
Dr. T. Terwilliger (60’)
Presentation
PHENIX. Crystallographic & cryo-EM refinement, ligand restraints, maps, validation, deposition (90’)
Ligand fitting (30’)
Dr. P. Afonine
Dr. T. Terwilliger

Link to several tutorials
Refinement and manual model building using COOT and WebCoot

Dr. F. Sánchez
Presentation
L. Catapano
Presentation
Sample preparation, initial screening and optimization for cryo-EM

Dr. B. Herguedas
14.00-
14.30h
14.30-
15.00h
15.30-
16.00h
Break Break Break Break Break
16.00-
16.30h
16.30-
17.00h
Data quality. Noise errors and mistakes

Dr. K. Diederichs
Presentation
PHENIX workshop on integration with AF2. Step-by-step solution; automatic solution with PredictAndBuild 

Dr. P. Afonine
Dr. T. Terwilliger
Link to several tutorials
CCP4: General introduction

Dr. E. Krissinel
Dr. M. Fando
Presentation
Workshop on COOT

Dr. F. Sánchez
L. Catapano
Coot tutorial
From micrographs to atomic model: Data processing overview in cryo-EM

Dr. B. Herguedas
17.00-
17.30h
17.30-
18.00h
18.00-
18.30h
Data processing with XDS and associated programs

Dr. K. Diederichs
Presentation
Student’s presentations (*) CCP4: Workshop on CCP4 pipeline
 
Dr. E. Krissinel
Dr. M. Fando
A sip of science with XFELs: Introduction, applications and experimental aspects

Dr. J.M. Martin García
Presentation
FAREWELL
18.30-
19.00h
Discussions, questions and time for student’s projects (*) Discussions, questions and time for student’s projects (*)
19.00-
19-30h
Discussions, questions and time for student’s projects (*) FIESTA
...
Monday 8th Tuesday 9th Wednesday 10th Thursday 11th Friday 12th

(*) Students will be requested to prepare a short introductory presentation (just 1 PowerPoint-slide in PDF format) on their group, the current stage of their project, personal motivation and/or their crystallographic problems. At the same time, they should feel free to bring their own data to discuss with the teachers and the rest of the students.

At the end of each day, discussion sections will be moderated by Drs. J.A. Hermoso, A. Albert, with the participation of remaining teachers.