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
-
Local Organizers
Welcome + Intro
Local Organizers
12:00 - 12:15
12:15
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 - 12:40
12:40
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 - 13:05
13:05
Next Generation Remote Experiments
-
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
-
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
-
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
-
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
-
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
-
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
-
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)
-
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
-
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
-
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
-
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
-
Mark Williams
(
DLS, UK
)
High Capacity Sample Automation for Diamond MX
Mark Williams
(
DLS, UK
)
16:55 - 17:20
17:20
Discussion
-
All Participants
Discussion
All Participants
17:20 - 17:50
17:50
Closeout
-
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
-
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
-
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
-
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
-
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
-
Melanie Vollmar
(
DLS, UK
)
Predicting experimental phasing success for data triaging
Melanie Vollmar
(
DLS, UK
)
14:05 - 14:15
14:15
Discussion
-
All Participants
Discussion
All Participants
14:15 - 14:25
14:25
Integrated Crystallographic Data Analysis at GMCA@APS
-
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
-
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
-
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
-
Andreas Foerster
(
Dectris, Switzerland
)
Your vision for the future of MX
Andreas Foerster
(
Dectris, Switzerland
)
15:40 - 15:50
15:50
TBD
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
All Participants
Discussion
All Participants
14:15 - 14:25
14:25
Remote experiments at BioMAX
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
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
-
All Participants
Discussion
All Participants
17:25 - 17:55
17:55
Closeout
-
Local Organizers
Closeout
Local Organizers
17:55 - 18:00