Name: Current and Future Trends in Macromolecular Crystallography Experiments: Focus on Automation, High Data Rate Analysis and User Interfaces
Start: 2021-03-16T12:00:00-04:00
End: 2021-03-18T18:00:00-04:00
Location: No location set

Current and Future Trends in Macromolecular Crystallography Experiments: Focus on Automation, High Data Rate Analysis and User Interfaces

from Tuesday, March 16, 2021 (12:00 PM) to Thursday, March 18, 2021 (6:00 PM)

Monday, March 15, 2021
Tuesday, March 16, 2021
12:00 PM Welcome + Intro - Local Organizers
Welcome + Intro
- Local Organizers
12:00 PM - 12:15 PM
12:15 PM Automation for Macromolecular Crystallography at NSLS-II - Edwin Lazo (NSLS-II, BNL)
Automation for Macromolecular Crystallography at NSLS-II
- Edwin Lazo (NSLS-II, BNL)
12:15 PM - 12:40 PM
12:40 PM MASSIF-1: Player piano dystopia or brave new world? - Matthew Bowler (EMBL Grenoble, France)
MASSIF-1: Player piano dystopia or brave new world?
- Matthew Bowler (EMBL Grenoble, France)
12:40 PM - 1:05 PM
1:05 PM Next Generation Remote Experiments - Aina Cohen (SSRL, SLAC, US)
Next Generation Remote Experiments
- Aina Cohen (SSRL, SLAC, US)
1:05 PM - 1:30 PM
1:30 PM CrystalDirect-to-Beam pipeline and FlexHCD sample changers at ESRF - Gergely Papp (EMBL Grenoble, France)
CrystalDirect-to-Beam pipeline and FlexHCD sample changers at ESRF
- Gergely Papp (EMBL Grenoble, France)
1:30 PM - 1:55 PM
1:55 PM Sample automation routine at the BioMAX beamline at MAX IV - Ishkhan Gorgisyan (MAX IV, Sweden)
Sample automation routine at the BioMAX beamline at MAX IV
- Ishkhan Gorgisyan (MAX IV, Sweden)
1:55 PM - 2:05 PM
2:05 PM Discussion / Flash Talk1 / Break (10 / 10 / 10) - All Participants
Discussion / Flash Talk1 / Break (10 / 10 / 10)
- All Participants
2:05 PM - 2:25 PM
2:25 PM GM/CA@APS macromolecular crystallography sample-changer upgrade for higher capacity and throughput - Oleg Makarov (GM/CA, APS, ANL, US)
GM/CA@APS macromolecular crystallography sample-changer upgrade for higher capacity and throughput
- Oleg Makarov (GM/CA, APS, ANL, US)
2:25 PM - 2:50 PM
2:50 PM Rapid sample exchanger SPACE-II at SPring-8 - Kazuya Hasegawa (SPring-8, Japan)
Rapid sample exchanger SPACE-II at SPring-8
- Kazuya Hasegawa (SPring-8, Japan)
2:50 PM - 3:15 PM
3:15 PM New endstations at NE-CAT: MD3UP microdiffractometer and 30 puck ALS-style loader - Malcolm Capel (NE-CAT, APS, ANL, US)
New endstations at NE-CAT: MD3UP microdiffractometer and 30 puck ALS-style loader
- Malcolm Capel (NE-CAT, APS, ANL, US)
3:15 PM - 3:40 PM
3:40 PM Sample Cassette Tracking System - Yusuke Yamada (Photon Factory, Japan)
Sample Cassette Tracking System
- Yusuke Yamada (Photon Factory, Japan)
3:40 PM - 3:50 PM
3:50 PM Discussion / Flash Talk2 / Break (10 / 10 / 10) - All Participants
Discussion / Flash Talk2 / Break (10 / 10 / 10)
- All Participants
3:50 PM - 4:10 PM
4:10 PM Sample Automation at the ALS Flash Talk 3 + Flash Talk 4 to come - Kevin Royal (ALS, LBNL, US)
Sample Automation at the ALS Flash Talk 3 + Flash Talk 4 to come
- Kevin Royal (ALS, LBNL, US)
4:10 PM - 4:20 PM
4:20 PM The MX3 Beamline at the Australian Synchrotron: Automation - Tom Caradoc-Davies (Austalian Synchrotron)
The MX3 Beamline at the Australian Synchrotron: Automation
- Tom Caradoc-Davies (Austalian Synchrotron)
4:20 PM - 4:30 PM
4:30 PM High-Throughput Sample Changer at P11 - Sofiane Saouane (PETRA P11, Desy, Germany)
High-Throughput Sample Changer at P11
- Sofiane Saouane (PETRA P11, Desy, Germany)
4:30 PM - 4:55 PM
4:55 PM High Capacity Sample Automation for Diamond MX - Mark Williams (DLS, UK)
High Capacity Sample Automation for Diamond MX
- Mark Williams (DLS, UK)
4:55 PM - 5:20 PM
5:20 PM Discussion - All Participants
Discussion
- All Participants
5:20 PM - 5:50 PM
5:50 PM Closeout - Local Organizers
Closeout
- Local Organizers
5:50 PM - 5:55 PM
Wednesday, March 17, 2021
12:00 PM Welcome - Local Organizers
Welcome
- Local Organizers
12:00 PM - 12:15 PM
12:15 PM HDRMX at NSLS-II - Dale Kreitler (NSLS-II, US)
HDRMX at NSLS-II
- Dale Kreitler (NSLS-II, US)
12:15 PM - 12:40 PM
12:40 PM Live Eiger data analysis via HDF5, SWMR, and VDS - Graeme Winter (DLS, UK)
Live Eiger data analysis via HDF5, SWMR, and VDS
- Graeme Winter (DLS, UK)
12:40 PM - 1:05 PM
1:05 PM Data Acquisition, Management, and Real-Time Analysis at the EMBL Beamlines - Marina Nikolova (EMBL, Germany)
Data Acquisition, Management, and Real-Time Analysis at the EMBL Beamlines
- Marina Nikolova (EMBL, Germany)
1:05 PM - 1:30 PM
1:30 PM Implementing expertise in data collection without loss of automation - Gerard Bricogne (GPhL, UK)
Implementing expertise in data collection without loss of automation
- Gerard Bricogne (GPhL, UK)
1:30 PM - 1:55 PM
1:55 PM X-Spectrum detectors: Now and tomorrow - Julian Becker (X-spectrum, Germany)
X-Spectrum detectors: Now and tomorrow
- Julian Becker (X-spectrum, Germany)
1:55 PM - 2:05 PM
2:05 PM Predicting experimental phasing success for data triaging - Melanie Vollmar (DLS, UK)
Predicting experimental phasing success for data triaging
- Melanie Vollmar (DLS, UK)
2:05 PM - 2:15 PM
2:15 PM Discussion - All Participants
Discussion
- All Participants
2:15 PM - 2:25 PM
2:25 PM Integrated Crystallographic Data Analysis at GMCA@APS - Qingping Xu (ANL, US)
Integrated Crystallographic Data Analysis at GMCA@APS
- Qingping Xu (ANL, US)
2:25 PM - 2:50 PM
2:50 PM Jungfraujoch: A Data Acquisition and On-the-fly Analysis System for High Data Rate Macromolecular Crystallography - Filip Leonarski (PSI, Switzerland)
Jungfraujoch: A Data Acquisition and On-the-fly Analysis System for High Data Rate Macromolecular Crystallography
- Filip Leonarski (PSI, Switzerland)
2:50 PM - 3:15 PM
3:15 PM RAPD data analysis at NE-CAT - Frank Murphy (ANL, US)
RAPD data analysis at NE-CAT
- Frank Murphy (ANL, US)
3:15 PM - 3:40 PM
3:40 PM Your vision for the future of MX - Andreas Foerster (Dectris, Switzerland)
Your vision for the future of MX
- Andreas Foerster (Dectris, Switzerland)
3:40 PM - 3:50 PM
3:50 PM TBD - Gabriella Carini (BNL, US)
TBD
- Gabriella Carini (BNL, US)
3:50 PM - 4:00 PM
4:00 PM The cctbx.xfel GUI: processing serial crystallographic data at massive scales - Aaron Brewster (LBL, US)
The cctbx.xfel GUI: processing serial crystallographic data at massive scales
- Aaron Brewster (LBL, US)
4:00 PM - 4:10 PM
4:10 PM Crystallography Live: Processing and Analysis of X-ray Diffraction Data in Real Time - Artem Lyubimov (SSRL, US)
Crystallography Live: Processing and Analysis of X-ray Diffraction Data in Real Time
- Artem Lyubimov (SSRL, US)
4:10 PM - 4:35 PM
4:35 PM Hierarchical clustering to classify multiple state of protein structures from mixed-state diffraction data - Hiroaki Matsuura (Riken SPring-8, Japan)
Hierarchical clustering to classify multiple state of protein structures from mixed-state diffraction data
- Hiroaki Matsuura (Riken SPring-8, Japan)
4:35 PM - 5:00 PM
5:00 PM The future of high data rate MX at the ESRF - Gianluca Santoni (ESRF, France)
The future of high data rate MX at the ESRF
- Gianluca Santoni (ESRF, France)
5:00 PM - 5:25 PM
5:25 PM Discussion - All Participants
Discussion
- All Participants
5:25 PM - 5:55 PM
5:55 PM Closeout - Local Organizers
Closeout
- Local Organizers
5:55 PM - 6:00 PM
Thursday, March 18, 2021
12:00 PM Welcome - Local Organizers
Welcome
- Local Organizers
12:00 PM - 12:15 PM
12:15 PM MXCuBE3 @ ESRF: a new paradigm in remote data collection - Daniele de Sanctis (ESRF - The European Synchrotron, France)
MXCuBE3 @ ESRF: a new paradigm in remote data collection
- Daniele de Sanctis (ESRF - The European Synchrotron, France)
12:15 PM - 12:40 PM
12:40 PM Current status of automatic data collection by ZOO at SPring-8 - Kunio Hirata (RIKEN / SPring-8, Japan)
Current status of automatic data collection by ZOO at SPring-8
- Kunio Hirata (RIKEN / SPring-8, Japan)
12:40 PM - 1:05 PM
1:05 PM The year 2020 of remote user operation at the beamline P11 - Guillaume Pompidor (DESY / PETRA3, Germany)
The year 2020 of remote user operation at the beamline P11
- Guillaume Pompidor (DESY / PETRA3, Germany)
1:05 PM - 1:30 PM
1:30 PM User Interfaces and Automated Data Collection at PSI - Kate Mary Louise Smith (PSI, Switzerland)
User Interfaces and Automated Data Collection at PSI
- Kate Mary Louise Smith (PSI, Switzerland)
1:30 PM - 1:55 PM
1:55 PM UX and Remote Access @ Berkeley Center for Structural Biology - John Taylor (LBL/ALS, US)
UX and Remote Access @ Berkeley Center for Structural Biology
- John Taylor (LBL/ALS, US)
1:55 PM - 2:05 PM
2:05 PM MxLIVE (Mx Laboratory Information Virtual Environment): Web application for shipment, experiment, and data management at MX Beamlines - Kathryn Janzen (Canadian Light Source)
MxLIVE (Mx Laboratory Information Virtual Environment): Web application for shipment, experiment, and data management at MX Beamlines
- Kathryn Janzen (Canadian Light Source)
2:05 PM - 2:15 PM
2:15 PM Discussion - All Participants
Discussion
- All Participants
2:15 PM - 2:25 PM
2:25 PM Remote experiments at BioMAX - Ana Gonzalez (MAX IV / BioMAX, Sweden)
Remote experiments at BioMAX
- Ana Gonzalez (MAX IV / BioMAX, Sweden)
2:25 PM - 2:50 PM
2:50 PM Current developments and future perspectives of beamline control environment MXCuBEQt - Ivars Karpics (EMBL-Hamburg, Germany)
Current developments and future perspectives of beamline control environment MXCuBEQt
- Ivars Karpics (EMBL-Hamburg, Germany)
2:50 PM - 3:15 PM
3:15 PM PyBluIce: Modular MX Data Collection Software for Fully Automated, High Data Rate and Long Duration Experiments - Mark Hilgart (Argonne National Laboratory, US)
PyBluIce: Modular MX Data Collection Software for Fully Automated, High Data Rate and Long Duration Experiments
- Mark Hilgart (Argonne National Laboratory, US)
3:15 PM - 3:40 PM
3:40 PM MxDC – Macromolecular Crystallography Data Collector: User-friendly data collection application for MX Beamlines - Michel Fodje (Canadian Light Source)
MxDC – Macromolecular Crystallography Data Collector: User-friendly data collection application for MX Beamlines
- Michel Fodje (Canadian Light Source)
3:40 PM - 3:50 PM
3:50 PM Current developments of the new microfocus MX beamline at the ALBA synchrotron - Judith Juanhuix (ALBA Synchrotron, Spain)
Current developments of the new microfocus MX beamline at the ALBA synchrotron
- Judith Juanhuix (ALBA Synchrotron, Spain)
3:50 PM - 4:00 PM
4:00 PM Discussion - All Participants
Discussion
- All Participants
4:00 PM - 4:10 PM
4:10 PM User Interfaces, Unattended Data Collection & Operational Changes In times of the pandemic, at the Diamond Light Source - David Aragao (Diamond Light Source, UK)
User Interfaces, Unattended Data Collection & Operational Changes In times of the pandemic, at the Diamond Light Source
- David Aragao (Diamond Light Source, UK)
4:10 PM - 4:35 PM
4:35 PM Data Acquisition, Processing and Monitoring at the NSLS-II Life Science Beamlines - an adaptable Approach for Long-Term Development - Jun Aishima (BNL / NSLS-II, US)
Data Acquisition, Processing and Monitoring at the NSLS-II Life Science Beamlines - an adaptable Approach for Long-Term Development
- Jun Aishima (BNL / NSLS-II, US)
4:35 PM - 5:00 PM
5:00 PM U[sers] Can't Touch This: Remote Access with SSRL at SLAC - Jeney Wierman (SLAC / SSRL, US)
U[sers] Can't Touch This: Remote Access with SSRL at SLAC
- Jeney Wierman (SLAC / SSRL, US)
5:00 PM - 5:25 PM
5:25 PM Discussion - All Participants
Discussion
- All Participants
5:25 PM - 5:55 PM
5:55 PM Closeout - Local Organizers
Closeout
- Local Organizers
5:55 PM - 6:00 PM

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