Current and Future Trends in Macromolecular Crystallography Experiments: Focus on Automation, High Data Rate Analysis and User Interfaces
from
Tuesday, 16 March 2021 (12:00)
to
Thursday, 18 March 2021 (18:00)
Monday, 15 March 2021
Tuesday, 16 March 2021
12:00
Welcome + Intro
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Local Organizers
Welcome + Intro
Local Organizers
12:00 - 12:15
12:15
Automation for Macromolecular Crystallography at NSLS-II
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Edwin Lazo
(NSLS-II, BNL)
Automation for Macromolecular Crystallography at NSLS-II
Edwin Lazo
(NSLS-II, BNL)
12:15 - 12:40
12:40
MASSIF-1: Player piano dystopia or brave new world?
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Matthew Bowler
(EMBL Grenoble, France)
MASSIF-1: Player piano dystopia or brave new world?
Matthew Bowler
(EMBL Grenoble, France)
12:40 - 13:05
13:05
Next Generation Remote Experiments
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Aina Cohen
(SSRL, SLAC, US)
Next Generation Remote Experiments
Aina Cohen
(SSRL, SLAC, US)
13:05 - 13:30
13:30
CrystalDirect-to-Beam pipeline and FlexHCD sample changers at ESRF
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Gergely Papp
(EMBL Grenoble, France)
CrystalDirect-to-Beam pipeline and FlexHCD sample changers at ESRF
Gergely Papp
(EMBL Grenoble, France)
13:30 - 13:55
13:55
Sample automation routine at the BioMAX beamline at MAX IV
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Ishkhan Gorgisyan
(MAX IV, Sweden)
Sample automation routine at the BioMAX beamline at MAX IV
Ishkhan Gorgisyan
(MAX IV, Sweden)
13:55 - 14:05
14:05
Discussion / Flash Talk1 / Break (10 / 10 / 10)
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All Participants
Discussion / Flash Talk1 / Break (10 / 10 / 10)
All Participants
14:05 - 14:25
14:25
GM/CA@APS macromolecular crystallography sample-changer upgrade for higher capacity and throughput
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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)
14:25 - 14:50
14:50
Rapid sample exchanger SPACE-II at SPring-8
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Kazuya Hasegawa
(SPring-8, Japan)
Rapid sample exchanger SPACE-II at SPring-8
Kazuya Hasegawa
(SPring-8, Japan)
14:50 - 15:15
15:15
New endstations at NE-CAT: MD3UP microdiffractometer and 30 puck ALS-style loader
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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)
15:15 - 15:40
15:40
Sample Cassette Tracking System
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Yusuke Yamada
(Photon Factory, Japan)
Sample Cassette Tracking System
Yusuke Yamada
(Photon Factory, Japan)
15:40 - 15:50
15:50
Discussion / Flash Talk2 / Break (10 / 10 / 10)
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All Participants
Discussion / Flash Talk2 / Break (10 / 10 / 10)
All Participants
15:50 - 16:10
16:10
Sample Automation at the ALS Flash Talk 3 + Flash Talk 4 to come
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Kevin Royal
(ALS, LBNL, US)
Sample Automation at the ALS Flash Talk 3 + Flash Talk 4 to come
Kevin Royal
(ALS, LBNL, US)
16:10 - 16:20
16:20
The MX3 Beamline at the Australian Synchrotron: Automation
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Tom Caradoc-Davies
(Austalian Synchrotron)
The MX3 Beamline at the Australian Synchrotron: Automation
Tom Caradoc-Davies
(Austalian Synchrotron)
16:20 - 16:30
16:30
High-Throughput Sample Changer at P11
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Sofiane Saouane
(PETRA P11, Desy, Germany)
High-Throughput Sample Changer at P11
Sofiane Saouane
(PETRA P11, Desy, Germany)
16:30 - 16:55
16:55
High Capacity Sample Automation for Diamond MX
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Mark Williams
(DLS, UK)
High Capacity Sample Automation for Diamond MX
Mark Williams
(DLS, UK)
16:55 - 17:20
17:20
Discussion
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All Participants
Discussion
All Participants
17:20 - 17:50
17:50
Closeout
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Local Organizers
Closeout
Local Organizers
17:50 - 17:55
Wednesday, 17 March 2021
12:00
Welcome
-
Local Organizers
Welcome
Local Organizers
12:00 - 12:15
12:15
HDRMX at NSLS-II
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Dale Kreitler
(NSLS-II, US)
HDRMX at NSLS-II
Dale Kreitler
(NSLS-II, US)
12:15 - 12:40
12:40
Live Eiger data analysis via HDF5, SWMR, and VDS
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Graeme Winter
(DLS, UK)
Live Eiger data analysis via HDF5, SWMR, and VDS
Graeme Winter
(DLS, UK)
12:40 - 13:05
13:05
Data Acquisition, Management, and Real-Time Analysis at the EMBL Beamlines
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Marina Nikolova
(EMBL, Germany)
Data Acquisition, Management, and Real-Time Analysis at the EMBL Beamlines
Marina Nikolova
(EMBL, Germany)
13:05 - 13:30
13:30
Implementing expertise in data collection without loss of automation
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Gerard Bricogne
(GPhL, UK)
Implementing expertise in data collection without loss of automation
Gerard Bricogne
(GPhL, UK)
13:30 - 13:55
13:55
X-Spectrum detectors: Now and tomorrow
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Julian Becker
(X-spectrum, Germany)
X-Spectrum detectors: Now and tomorrow
Julian Becker
(X-spectrum, Germany)
13:55 - 14:05
14:05
Predicting experimental phasing success for data triaging
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Melanie Vollmar
(DLS, UK)
Predicting experimental phasing success for data triaging
Melanie Vollmar
(DLS, UK)
14:05 - 14:15
14:15
Discussion
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All Participants
Discussion
All Participants
14:15 - 14:25
14:25
Integrated Crystallographic Data Analysis at GMCA@APS
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Qingping Xu
(ANL, US)
Integrated Crystallographic Data Analysis at GMCA@APS
Qingping Xu
(ANL, US)
14:25 - 14:50
14:50
Jungfraujoch: A Data Acquisition and On-the-fly Analysis System for High Data Rate Macromolecular Crystallography
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Filip Leonarski
(PSI, Switzerland)
Jungfraujoch: A Data Acquisition and On-the-fly Analysis System for High Data Rate Macromolecular Crystallography
Filip Leonarski
(PSI, Switzerland)
14:50 - 15:15
15:15
RAPD data analysis at NE-CAT
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Frank Murphy
(ANL, US)
RAPD data analysis at NE-CAT
Frank Murphy
(ANL, US)
15:15 - 15:40
15:40
Your vision for the future of MX
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Andreas Foerster
(Dectris, Switzerland)
Your vision for the future of MX
Andreas Foerster
(Dectris, Switzerland)
15:40 - 15:50
15:50
TBD
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Gabriella Carini
(BNL, US)
TBD
Gabriella Carini
(BNL, US)
15:50 - 16:00
16:00
The cctbx.xfel GUI: processing serial crystallographic data at massive scales
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Aaron Brewster
(LBL, US)
The cctbx.xfel GUI: processing serial crystallographic data at massive scales
Aaron Brewster
(LBL, US)
16:00 - 16:10
16:10
Crystallography Live: Processing and Analysis of X-ray Diffraction Data in Real Time
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Artem Lyubimov
(SSRL, US)
Crystallography Live: Processing and Analysis of X-ray Diffraction Data in Real Time
Artem Lyubimov
(SSRL, US)
16:10 - 16:35
16:35
Hierarchical clustering to classify multiple state of protein structures from mixed-state diffraction data
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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)
16:35 - 17:00
17:00
The future of high data rate MX at the ESRF
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Gianluca Santoni
(ESRF, France)
The future of high data rate MX at the ESRF
Gianluca Santoni
(ESRF, France)
17:00 - 17:25
17:25
Discussion
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All Participants
Discussion
All Participants
17:25 - 17:55
17:55
Closeout
-
Local Organizers
Closeout
Local Organizers
17:55 - 18:00
Thursday, 18 March 2021
12:00
Welcome
-
Local Organizers
Welcome
Local Organizers
12:00 - 12:15
12:15
MXCuBE3 @ ESRF: a new paradigm in remote data collection
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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 - 12:40
12:40
Current status of automatic data collection by ZOO at SPring-8
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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 - 13:05
13:05
The year 2020 of remote user operation at the beamline P11
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Guillaume Pompidor
(DESY / PETRA3, Germany)
The year 2020 of remote user operation at the beamline P11
Guillaume Pompidor
(DESY / PETRA3, Germany)
13:05 - 13:30
13:30
User Interfaces and Automated Data Collection at PSI
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Kate Mary Louise Smith
(PSI, Switzerland)
User Interfaces and Automated Data Collection at PSI
Kate Mary Louise Smith
(PSI, Switzerland)
13:30 - 13:55
13:55
UX and Remote Access @ Berkeley Center for Structural Biology
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John Taylor
(LBL/ALS, US)
UX and Remote Access @ Berkeley Center for Structural Biology
John Taylor
(LBL/ALS, US)
13:55 - 14:05
14:05
MxLIVE (Mx Laboratory Information Virtual Environment): Web application for shipment, experiment, and data management at MX Beamlines
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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)
14:05 - 14:15
14:15
Discussion
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All Participants
Discussion
All Participants
14:15 - 14:25
14:25
Remote experiments at BioMAX
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Ana Gonzalez
(MAX IV / BioMAX, Sweden)
Remote experiments at BioMAX
Ana Gonzalez
(MAX IV / BioMAX, Sweden)
14:25 - 14:50
14:50
Current developments and future perspectives of beamline control environment MXCuBEQt
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Ivars Karpics
(EMBL-Hamburg, Germany)
Current developments and future perspectives of beamline control environment MXCuBEQt
Ivars Karpics
(EMBL-Hamburg, Germany)
14:50 - 15:15
15:15
PyBluIce: Modular MX Data Collection Software for Fully Automated, High Data Rate and Long Duration Experiments
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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)
15:15 - 15:40
15:40
MxDC – Macromolecular Crystallography Data Collector: User-friendly data collection application for MX Beamlines
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Michel Fodje
(Canadian Light Source)
MxDC – Macromolecular Crystallography Data Collector: User-friendly data collection application for MX Beamlines
Michel Fodje
(Canadian Light Source)
15:40 - 15:50
15:50
Current developments of the new microfocus MX beamline at the ALBA synchrotron
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Judith Juanhuix
(ALBA Synchrotron, Spain)
Current developments of the new microfocus MX beamline at the ALBA synchrotron
Judith Juanhuix
(ALBA Synchrotron, Spain)
15:50 - 16:00
16:00
Discussion
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All Participants
Discussion
All Participants
16:00 - 16:10
16:10
User Interfaces, Unattended Data Collection & Operational Changes In times of the pandemic, at the Diamond Light Source
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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)
16:10 - 16:35
16:35
Data Acquisition, Processing and Monitoring at the NSLS-II Life Science Beamlines - an adaptable Approach for Long-Term Development
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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)
16:35 - 17:00
17:00
U[sers] Can't Touch This: Remote Access with SSRL at SLAC
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Jeney Wierman
(SLAC / SSRL, US)
U[sers] Can't Touch This: Remote Access with SSRL at SLAC
Jeney Wierman
(SLAC / SSRL, US)
17:00 - 17:25
17:25
Discussion
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All Participants
Discussion
All Participants
17:25 - 17:55
17:55
Closeout
-
Local Organizers
Closeout
Local Organizers
17:55 - 18:00