The course will begin each day at 8:00am PDT.

Zoom will be used as the virtual platform. Attendees will receive every day an email with the agenda and the zoom link/s. Please be sure not to share the link/s since it should be accessed by registered workshop participants only.

Wednesday 22 March

• 8:00 - 12:15 Crystallography 101: Bob Sweet

  The topics that will be covered in this short course are the following:

  - Waves and diffraction; the relationship with optical imaging

  - Bragg’s Law and reciprocal space

  - Doing the X-ray experiment

  - The actual physics of diffraction, described by Fourier analysis and synthesis

  - Symmetry space groups and crystal systems

  - Solving the phase problem

  This lecture will include several short breaks, made at times that seem appropriate to the lecture, and maybe a longer one about 10 am.

• 12:15 - 12:30 Break

• 12:30 - 13:30 NX Client installation and remote desktop workshop: Art Lyubimov

Thursday 23 March

• 8:00 - 8:30   Introduction to RapiData: Clyde Smith

• 8:30 - 9:15   Macromolecular Cryocrystallography: Some opinions about best practices: Jim Pflugrath

• 9:15 - 10:00   Room and elevated temperature data collection: New tools and automation: Silvia Russi

• 10:00 - 10:15   Break

• 10:15 - 11:00   Getting the best data from photon counting detectors: Dectris

• 11:00 - 11:45   Data processing fundamentals: Harry Powell

• 11:45 - 12:45   Flash introduction of the participants

Friday 24 March

• 8:00 - 8:30   A roadmap to structural molecular biology at SSRL: Silvia Russi

• 8:30 - 9:00   SSRL Virtual Tour

• 9:00 - 9:45   SAD and MAD: Ana Gonzalez

• 9:45 - 10:00   Break

• 10:00 - 10:45   Shelx: Andrea Thorn

• 10:45 - 11:30   Data processing and analysis for experimental phasing with SHARP/autoSHARP: Clemens Vonrhein

• 11:30 - 12:15   Solve and Phenix: Dorothee Liebschner

• 12:15 - 13:00   Molecular Replacement: Raji Edayathumangalam

Monday 27 March

• 8:00 - 8:45   Radiation Damage: Elspeth Garman

• 8:45 - 9:30   A structural biologist's guide to serial crystallography: Artem Lyubimov

• 9:30 - 10:15   Data collection at Free Electron Lasers: Nick Sauter

• 10:15 - 10:30   Break

• 10:30 - 11:00   Studying metalloenzymes with complimentary in-situ spectroscopic techniques: Aina Cohen

• 11:00 - 12:00   Introduction to Small Angle Scattering: Thomas Weiss

• 12:00 - 13:00   LCLS Virtual Tour

Tuesday 28 March

• 8:00 - 8:45 Data processing with XDS: James Holton

• 8:45 - 9:30 Data processing with HKL3000: Maksymilian Chruszcz

• 9:30 - 10:15 DIALS: Harry Powell

• 10:15 - 10:30 Break

• 10:30 - 11:30 Introduction to COOT: Paul Emsley

• 11:30 – 12:30 Guest lecture: Wah Chiu

• 12:30 – 13:00 Introduction to tutorials: Clyde Smith

Wednesday 29 March

• 8:00 - 12:30 Software tutorials (SHARP/autoSHARP/autoPROC/STARANISO/BUSTER, CCP4/DIALS, HKL3000, MR and Coot)

• 13:00 - 17:30 Software tutorials (XDS, Phenix, Sample preparation)

Thursday 30 March

• 8:00 - 12:30 Software and beamline tutorials (SHARP/autoSHARP/autoPROC/STARANISO/BUSTER, CCP4/DIALS, HKL3000, MR, Coot and MAD/SAD)

• 13:00 - 17:30 Software and beamline tutorials (XDS, Phenix, SAXS, Data collections, UV-Vis Microspec introduction, RT data collection/crystal dehydration, Sample preparation)

Friday 31 March

• 8:00 - 12:30 Software and beamline tutorials (SHARP/autoSHARP/autoPROC/STARANISO/BUSTER, CCP4/DIALS, HKL3000, MR, Coot and MAD/SAD)

• 13:00 - 14:00   Guest lecture: James Fraser

• 14:00 - 18:30 Software and beamline tutorials (XDS, SAXS, Data collections, UV-Vis Microspec introduction, RT data collection/crystal dehydration, Sample preparation)

Saturday 1 April

• 10:00-11:00 Recapitulation and final discussions

NX client installation and remote desktop workshop

On Wednesday March 22, there will be a workshop to install and configure the NX client in the participants' laptops, and to learn how to access the data and demos in the practical tutorials.

Participants who cannot attend and need help with the NX client, please contact the organizers.

Flash Introductions of Participants

On Thursday March 23, we will ask all the participants to give a short (1 minute or less) introduction of themselves: their name, where they work and what is the main thing the want to achieve or learn during the course.

Beamline Tutorials

We will offer tutorials for sample preparation, freezing, mounting and characterization; SAD/MAD data collection; RT data collection; crystal dehydration and UV-Vis spectrophotometry. All the participants will get beamtime to learn how to collect data from their own samples or standard samples.

• Data collection on BL9-2: Tzanko Doukov
• UV-Vis Microspectrophotometer introduction: Aina Cohen
• RT data collection/crystal dehydration: Silvia Russi
• Data collection on BL12-1: Irimpan Mathews
• Data collection on BL12-2: Clyde Smith, Darya Marchany
• MAD/SAD data collection on BL12-2: Ana Gonzalez
• Sample preparation tips and tricks: Jim Pflugrath

Software Tutorials

Software tutorials will be offered on several different packages for data processing and structure solution, including:

• Structure solution and refinement with Phenix: Li-Wei Hung, Billy Poon, Dorothee Liebschner
• Data processing and phasing with DIALS and CCP4: Harry Powell and Andrey Lebedev
• Molecular Replacement: Raji Edayathumangalam
• SHARP/autoSHARP, autoPROC, STARANISO, BUSTER: Clemens Vonrhein and Claus Flensburg
• Data processing with XDS: James Holton
• Data processing with HKL: Maksymilian Chruszcz
• Coot: Paul Emsley
• SAXS data analysis: Tsutomu Matsui, Ivan Rajkovic and Thomas Weiss

The participants must sign-up in advance for the software tutorials they wish to attend. Instructions on how to access the sign-up sheets will be given during the course.