Tutorial data for NordTEMhub/ARTEMI Workshop, Three-Dimensional Electron Diffraction

The data is used for NordTEMhub/ARTEMI Workshop, Three-Dimensional Electron Diffraction, 15-17 April 2024, Stockholm, Sweden.

A. Data information

There are two zip files:

[1] Tutorial_data.zip

1) Part1_3_data_processing_1dataset:

     This folder includes 1 CAU-36 dataset for Part 1-3 of the tutorial.

2) Part4_batch_data_processing_8datasets:

     This folder contains 8 CAU-36 datasets for Part 4 of the tutorial.

3) Part5_bonus_Lysozyme_protein_47datasets:    

     47 lysozyme datasets. The data will not be included in this tutorial.

[2] CAU-36only.zip

Only data for CAU-36

1) Part1_3_data_processing_1dataset:

     This folder includes 1 CAU-36 dataset for Part 1-3 of the tutorial.

2) Part4_batch_data_processing_8datasets:

     This folder contains 8 CAU-36 datasets for Part 4 of the tutorial.

*If you have no interest in protein data, you can only download CAU-36only.zip.

B. Data collection 

The cRED data of CAU-36 was collected with an ASI Timepix hybrid detector installed on a JEOL JEM-2100 (200 kV) microscope equipped with a LaB6 filament.

Sample

CAU-36, MOF

Related Publications

Chem.: Eur. J., 24, 2018

TEM

JEOL JEM-2100LaB6, 200 kV

Camera

ASI TimePix

The MicroED data of lysozyme was collected with an CetaD detector installed on a Titan krios Titan Krios G3i equipped with an autoloader. The data collection software was EPU-D.

B. Required data processing software 

Information about RED:

Wan. W. et. al. “Three-dimensional rotation electron diffraction: software RED for automated data collection and data processing”, Journal of Applied Crystallography, 2013

Zhang. D. et. al. “Collecting 3D electron diffraction data by the rotation method”, Zeitschrift für Kristallographie, 2010

Website: https://www.mmk.su.se/zou/electron-crystallography-software/rotation-electron-diffraction-red

Information about XDS:

Kabsch. W. “XDS”, ACTA CRYSTALLOGRAPHICA SECTION D, 2010

XDS Wiki: https://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Main_Page

AutoXDSGUI:

A homemade batch data processing software. Will be available in Zenodo or GitHub soon!

C. Structure determination software

Information about Shelx (including Shelxs, Shelxt and Shelxl) for CAU-36:

http://shelx.uni-ac.gwdg.de/SHELX/

Information about Phenix for protein:

https://phenix-online.org/

Information about Coot for protein:

https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/