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 Funded by the European Union

Advanced courses in 3D ED methods

25 - 27 May, 2022 - Prague, Czech Republic

Info

From May 25-27, 2022 the NanED project had its first Workshop “Advanced courses in 3D ED methods”. The workshop was held in Prague at the Institute of Physics of the Czech Academy of Sciences.

The main purpose of the meeting was to introduce structure analysis techniques that will be used by the students throughout their work on the project. The 12 ESRs already employed attended the workshop together with a small number of students outside the project.

Due to the covid-related restrictions, this meeting was also the first in-person meeting of the project participants, and thus it was also a great opportunity for getting to know each other, discussions and networking.

The meeting was set up to provide an introduction to all important aspects of the structure analysis process, both from theoretical and practical perspectives. Therefore, lectures on theory were mixed with lectures on practical applications and, most importantly, with practical hands-on tutorials, where the students could work on their own computers and solve practical problems.

The meeting was conceived in the following way: the first day was focused on structure solution and refinement, the second on raw 3D ED data reduction and analysis and the third was dedicated structure analysis of macromolecular crystals. During the first day, the ESRs presented the actual state of their projects. 

Below you can find the agenda and all the scientific presentations together with recorded videos of the three days.

Agenda

Day one - Wednesday, May 25, 2022

Structure solution and refinement
TimeEvent/SpeakerDescription
Time: 09:00 - 10:00
Event/Speaker: Tim Grüne
Description: Structure solution and refinement – theoretical aspects
Time: 10:00 - 10:25
Event/Speaker: Tim Grüne
Description: Structure refinement from 3D ED data with SHELX
Time: 10:25 - 10:50
Event/Speaker: Lukas Palatinus
Description: Structure refinement from 3D ED data with Jana2020
Time: 10:50 - 11:00
Event/Speaker: BREAK
Time: 11:00 - 12:30
Event/Speaker: Students’ presentations
Time: 12:30 - 13:30
Event/Speaker: LUNCH
Time: 13:30 - 15:30
Event/Speaker: Practical 1
Description: Structure refinement with SHELX
Time: 15:30 - 17:30
Event/Speaker: Practical 2
Description: Structure refinement with Jana2020
Video of day one

Day two - Thursday, May 26, 2022

3D ED data analysis
TimeEvent/SpeakerDescription
Time: 09:00 - 10:00
Event/Speaker: Mauro Gemmi, Philippe Boullay
Description: Experimental data collection strategies
Time: 10:00 - 10:45
Event/Speaker: Lukas Palatinus
Description: Data processing – theoretical aspects
Time: 10:45 - 11:00
Event/Speaker: BREAK
Time: 11:00 - 11:30
Event/Speaker: Hongyi Xu
Description: Data processing with XDS
Time: 11:30 - 12:00
Event/Speaker: Petr Brázda
Description: Data processing with PETS2
Time: 12:00 - 13:30
Event/Speaker: LUNCH
Time: 13:30 - 14:30
Event/Speaker: Valeria delle Cave
Description: Science communication
Time: 14:30 - 16:00
Event/Speaker: Practical 1
Description: Data processing with XDS
Time: 16:00 - 17:30
Event/Speaker: Practical 2
Description: Data processing with PETS2
Time: 14:30 - 17:30
Event/Speaker: Short demonstration of the experimental setup at FZU in small groups
Time: 19:00
Event/Speaker: Workshop Dinner
Videos of day two

Day three - Thursday, May 27, 2022

3D ED on macromolecular crystals
TimeEvent/SpeakerDescription
Time: 09:00 - 10:00
Event/Speaker: Gerhard Hofer, Hongyi Xu
Description: Specimen preparation of macromolecular crystals
Time: 10:00 - 10:50
Event/Speaker: Eric van Genderen
Description: TEM hardware, data collection and data pre-processing
Time: 10:50 - 11:00
Event/Speaker: BREAK
Time: 11:00 - 12:00
Event/Speaker: Gerhard Hofer
Description: Data processing and structure determination for macromolecules
Time: 12:00 - 13:00
Event/Speaker: LUNCH
Time: 13:00 - 15:00
Event/Speaker: Practical: data processing of macromolecular data
Video of day three