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Electron Crystallography School - 3D Electron
Diffraction/MicroED Uniting Small Molecule and Macromolecular
Crystallography
August 11-14, 2021, virtual Aug. 11-13 and hybrid Aug. 14.
The real session on Aug. 14 is at the
Prague Congress Center, the IUCr congress
venue.
Organisers: Xiaodong Zou
and Hongyi Xu, Sweden;
Louisa Meshi, Israel;
Lukas Palatinus, Czech Republic
School on 3D electron diffraction/MicroED techniques and
how to apply them for structure determination of
nano/microcrystals too small for X-ray diffraction. The topics
will cover inorganic compounds, pharmaceutics and proteins. It
includes both lectures and practical demonstrations. The
following topics will be covered:
·
The
development of various 3D electron diffraction/MicroED
techniques – a historical perspective
-
Introduction to transmission electron microscopy and electron
diffraction
-
3D electron
diffraction/MicroED techniques and space group
determination
-
Sample preparation for both materials and life sciences
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3D ED/MicroED Data collection including practical demo labs
-
Radiation damage
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3D ED Data Processing and data merging
including practical demo labs
-
Methods for phasing diffraction data – small molecules and
macromolecules
-
Practical demo labs for structure solution and refinement
with 3D ED/MicroED data,
for both small molecules and macromolecules
-
Dynamical refinement
-
New developments in 3D electron crystallography
Wednesday, August
11
|
Chair |
Xiaodong Zou |
|
|
09:00-09:30 |
Xiaodong Zou |
Welcome and Introduction to the school |
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09:30-10:00 |
Ute Kolb |
The development of ADT and its applications |
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10:00-10.30 |
Sven Hovmöller |
The development of RED and its applications |
|
10:30-10:45 |
Break |
|
Chair |
Ute Kolb |
|
|
10:45-11:15 |
Enrico Mugnaioli |
Electron diffraction: from precession to fast continuous
rotation |
|
11:15-11:45 |
Jan Pieter Abrahams |
The development of continuous rotation electron
diffraction on protein crystals and pharmacueticals
|
|
11:45-12:15 |
Koji Yonekura |
The development of 3D ED on studying structure and
charge state of protein microcystals |
|
12:15-13:15 |
Lunch |
|
Chair |
Tom Willhammar |
|
|
13:15-13:45 |
Joke Hadermann |
Similarities and complementarities between X-ray and
electron based techniques |
|
13:45-14:15 |
Sven Hovmöller |
Symmetry in real and reciprocal space |
|
14:15-14:45 |
Louisa Meshi |
Unit cell and space group determination from ED and CBED
|
|
14:45-15:00 |
Break |
|
Chair |
Joke Hadermann |
|
|
15:00-15:45 |
Hongyi Xu |
Demo of Sample preparation methods - from inorganics to
proteins |
|
15:45-16:15 |
Brent Nannenga |
Data collection and calibrations of important parameters |
|
16:15-17:00 |
Tom Willhammar |
Remote demo of cRED data collection and online structure
solution |
|
17:00-17:15 |
Break |
|
Chair |
Hongyi Xu |
|
|
17:15-17:45 |
Tamir Gonen |
The development of MicroED and its applications on
protein and peptide micocrystals |
|
17:45-18:30 |
Sponsor session |
ASI (5 min), Dectris (5 min), Eldico (10 min), Nanomegas
(5 min), Rigaku (5 min), ThermoFisher (5 min),
X-spectrum (10 min) |
Thursday, August
12
|
Chair |
Ronan Keegan |
|
|
9:00-9:45 |
David Waterman |
ED Data Processing theory |
|
9:45-10:30 |
David Waterman |
Dials – software demo |
|
10:30-10:45 |
Break |
|
Chair |
Lukas Palatinus |
|
|
10:45-11:30 |
Kay Diederichs |
XDS – software demo |
|
11:30-12:15 |
Stef Smeets |
Serial rotation electron diffraction: Automated
high-throughput data collection and data processing |
|
12:15-13:15 |
Lunch + meeting companies in breakout rooms |
|
Chair |
Stef Smeets |
|
|
13:15-14:00 |
Junliang Sun |
Methods for phasing diffraction data – small molecules |
|
14:00-14:45 |
Lukas Palatinus |
kinematical and dynamical structure refinement and
absolute structure |
|
14:45-15:30 |
Horst Puschmann |
Olex2 for structure solution and refinement – software
demo |
|
15:30-15:45 |
Break |
|
Chair |
Lukas Palatinus |
|
|
15:45-16:30 |
Isabel Uson |
Different methods for phasing diffraction data –
macromolecules |
|
16:30-17:15 |
Airlie McCoy |
Phaser - molecular replacement - Theory |
|
17:15-18:00 |
Ronan Keegan |
CCP4
Phasing and Structure solution, Mr Bump |
|
18:00-18:30 |
Poster presentations |
14 posters x 2 min/each, presentation order given in the
end |
Friday, August
13
|
Chair |
Hongyi Xu |
|
|
09:00-09:45 |
Garib Murshudov
|
Refinement of macromolecular structures against
electron diffraction data |
|
09:45-10:30 |
Keitaro Yamashita |
Coot – model building and refinement |
|
10:30-10:45 |
Break |
|
Chair |
David Watermann |
|
|
10:45-11:30 |
Tristan Croll |
ISOLDE – Interactive model building by molecular
dynamics for low resolution data |
|
11:30-12:15 |
Fraser White |
Synergy-ED and CrysAlisPro: data
collection, data processing and
structure solution - demo |
|
12:15-13:15 |
Lunch + poster sessions |
|
Chair |
Louisa Meshi |
|
|
13:15-14:00 |
Lukas Palatinus |
PETS and Jana2006: Data processing and structure
determination - software demo |
|
14:00-14:45 |
Lukas Palatinus |
Dynamical Refinement - software demo |
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14:45-15:00 |
Break |
|
Chair |
Tristan Croll |
|
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15:00-15:45 |
Pavel Afonine |
Phenix:
refinement and validation |
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15:45-16:30 |
Pavel Afonine |
Phenix – software demo |
|
Chair |
Louisa Meshi |
|
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16:30-17:00 |
|
Q & A |
Saturday, August
14
New developments and possibilities of electron crystallography
(on-site at the conference venue + virtual)
|
Chair |
Lukas Palatinus |
|
|
14:00-14:20 |
Eric van Genderen |
Detectors for crystallography, is there perfection? |
|
14:20-14:40 |
Robert Bücker |
Serial and scanning diffraction: chances and
challenges |
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14:40-15:00 |
Richard Beanland |
Prospects for improved quantitative electron
diffraction |
|
15:00-15:20 |
Paulina Dominiak |
The potential hidden in the 3D ED data |
|
15:20-15:40 |
Xiaodong Zou |
3D electron diffraction/MicroED: current status and
future perspectives |
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15:40-16:00 |
Coffee break |
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16:00-17:00 |
Round table discussions – the future of 3D
ED/MicroED |
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17:00-17:15 |
Poster award and concluding remarks |
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17:30- |
Opening of IUCr2021 |
Poster presentation order on August 12, 2
min/person:
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Angotzi Marco
Sanna
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Bengtsson Viktor
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Broadhurst Edward
Thomas
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Budniak Ursula
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Cho Jungyoun
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Ge Meng
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Gruza Barbara
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Kulik Marta
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Kunal Kumar Jha
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Li Yan
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Pacoste Laura
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Poppe Romy
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Tirado Castaño Juan
Ignacio
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Vandemeulebroucke
Daphne
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