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