SLAC National Accelerator Laboratory
U.S. Department of Energy: Office of Science

RapiData 2015 - Data Collection and Structure Solving: A Practical Course in Macromolecular X-Ray Diffraction Measurement

Agenda for RapiData 2015

Note: At this point, the schedule is subject to changes.

All lectures on Sunday, Monday and Tuesday will take place in the Redwood Rooms C & D (building 48). The practical tutorials will take place at different locations in the SSRL main building (137) and experimental floor. See a map of SLAC indicating the main course venues.

Sunday 3 May

  • 8:30 - 9:15 Registration (Redwood Rooms)

  • 9:30 - 15:30 Crystallographic Fundamentals Course: Bob Sweet

  • 12:00 Lunch (outside Redwood Rooms)

  • 17:30 - 19:30 Welcome Reception (Stanford Guest House)

Monday 4 May

  • 7:45 - 8:15 Registration (Redwood Rooms)

  • 8:30 Introduction to RapiData

  • 8:45 Some issues in data collection: Bob Sweet

  • 9:30 Cryo-crystallography and Radiation Damage: Elspeth Garman

    10:15 Coffee break

  • 10:30: I've got a crystal, now what? Jim Pflugrath

  • 11:15 Synchrotron Radiation: Clyde Smith

  • 12:00 Group picture

  • 12:15 Lunch

  • 13:00 Data reduction with the HKL Suite: Maksymilian Chruszcz

  • 13:45 Data reduction with XDS: Gerwald Jogl

    14:30 Coffee break

  • 14:45 Data collection at Free Electron Lasers: Nick Sauter

  • 15:30 In situ optical spectroscopy: Aina Cohen

  • 16:30 - 18:00 Tour of LCLS

  • 18:15-19:30 Banquet dinner (Building 48)

Tuesday 5 May

  • 8:30 Advanced area detectors Mike Blum

  • 9:15 Getting the best data from photon counting detectors: Andreas Foerster

    10:00 Coffee break

  • 10:15 SAD and MAD: Ana Gonzalez

  • 10:45 Molecular Replacement: Raji Edayathumangalam

  • 11:30 Sharp/Autosharp: Clemens Vonrhein

  • 12:15 Lunch

  • 13:00 Solve and Phenix: Tom Terwilliger

  • 13:45 Shelx: Matt Benning

  • 14:30 Introduction to Small Angle Scattering: Thomas Weiss

  • 15:30 Introduction to experiments at SSRL: Safety talk/computing environment/Blu-Ice for beginners (Buildings 120 and 270, see detailed schedule below)

  • 17:00 Participants check their samples

  • 18:00 Dinner (Building 48)

  • 19:00-21:30 Software tutorials/Sample preparation

Wednesday 6 May

  • 8:00-22:00 Assisted data collection and tutorials (see beamline schedule below)

    11:00 Coffee served in BL9 lounge area

  • 13:00 Lunch (building 48)
  • 17:00 Meeting (Redwood Rooms, building 48)
  • 18:00 Dinner (building 48)
  • 22:00- Overnight remote data collection at PX beamlines

Thursday 7 May

  • 8:00-22:00 Assisted data collection and tutorials (see beamline schedule below)

    11:00 Coffee served in BL9 lounge area

  • 13:00 Lunch (building 48)
  • 17:00 Meeting (Redwood Rooms, building 48)
  • 18:00 Dinner (building 48)
  • 22:00- Overnight remote data collection at PX beamlines

Friday 8 May

    8:30-11:00 Recapitulation and final discussions (The ending time is approximate)

LCLS Tour

The sign up for the tour of the free electron laser facility LCLS will take place at registration time. The first groups will set off from building 48 at ~ 16:15 (there is a ~15 minute walk to the LCLS). The tour will include visits to the beamlines CXI and XPP (where most macromolecular crystallography experiments take place) and XCS. The tour takes about one hour and fifteen minutes.

Introduction to experiments at SSRL

On Tuesday 5th after the lectures there will be brief orientations to experiments at SSRL, covering safety, the computing environment and the software for data collection and beamline control Blu-Ice. The detailed schedule is as follows:

15:30

  • Building 120: Safety talk (groups yellow/purple/coral/blue)
  • Building 120, room 300: Orientation to SMB computing (groups red/magenta/green/cyan)

16:00

  • Building 120: Safety talk (groups red/magenta/green/cyan)
  • Building 270, 19A: Introduction to Blu-Ice (groups yellow/purple/coral/blue)

16:30

  • Building 120, room 300: Orientation to SMB computing (groups yellow/purple/coral/blue)
  • Building 270, 19A: Introduction to Blu-Ice (groups red/magenta/green/cyan)

The group assignments can be found here.

Beamline schedule

For data collection and tutorials at the beamlines, the participants will be split in 8 groups (named after colors) based on their areas of interest. The participants will also be given the opportunity to collect data overnight or in slots of beamtime marked "To be scheduled". These slots will be assigned based on the number and properties of the samples brought by the participants.

.

The group assignments can be found here.

TimeBL7-1BL11-1BL12-2BL14-1BL4-2
Wed 10:00YellowCoral-PurpleBlue
Wed 14:00MagentaYellowCyanGreenRed
Wed 19:00RedBlueCoralMagentaPurple
Wed 22:00To be scheduledTo be scheduledTo be scheduledTo be scheduled-
Thu 8:00BluePurpleGreenCoralYellow
Thu 10:30GreenMagentaYellowCyanCoral
Thu 14:00MagentaCyanPurpleRedGreen
Thu 19:00CyanTo be scheduledBlueRed-
Thu 22:00To be scheduledTo be scheduledTo be scheduledTo be scheduled-

See A map of the SSRL beamlines.

Tutorials

There will be sign-up sheets for the tutorials at the Redwood room during the lectures on Monday and Tuesday and in the BL9 lounge area after that. The locations for the tutorials are marked in this map.

  • Phenix: Tom Terwilliger, Li-Wei Hung (Building 120, room 300)
  • Mosflm: James Holton (Building 278, conference room).Wednesday and Thursday only
  • Crystal Mounting: Jim Pflugrath, Elspeth Garman, Clyde Smith (Building 120, BL9)
  • Molecular Replacement: Raji Edayathumangalam (Building 274, conference room)
  • Sharp: Clemens Vonrhein, Claus Flensburg (Building 137E 2nd floor, room 226)
  • XDS: Gerwald Jogl (Building 131, room 214)
  • SHELX: Matt Benning (Building 137W 3rd floor, room 321)
  • HKL2000/HKL3000: Maks Chruszcz (Building 270, room 19A). Monday to Wednesday