MicroED datasets of peptide crystals (AVAAGA) at different accumulated electron exposures

Gallagher-Jones, Marcus;Rodriguez, Jose

Description

Continuous rotation data sets in SMV format were collected on a Tecnai F30 (300 kv) equipped with a TVIPS TEM CAM XF416 detector. Datasets were collected from 3 different crystals. To simulate increasing dose each crystal had 4 datasets collected from it with an approximate fluence of 3 e- Å2 per dataset (12 e- Å2 total accumulated exposure per crystal). Datasets at each exposure were indexed with XDS and merged with XSCALE to produce a final set of intensities at each total exposure. Experimental parameters are as follows:

Accelerating voltage: 300 kV
Wavelength: 0.019687
Cameralength: 1320 mm
Exposure time: 3 s
Rotation speed: 0.3 degrees s-1
Rotation: +/- 45 degrees
Detector area: 2048 x 2048 (Bin 2)
Pixel size: 0.031 mm
Spot size: 11
C2 aperture: 20 µm
SA aperture: 1 µm Datasets are grouped as follows: Crystal 1 = mov1-4, Crystal 2 = mov5-8, Crystal 3 = mov9-12. An example XDS and XSCALE file are provided. Note: It has been brought to our attention that the zip file does not always unpack in a linux environment. The following workaround was found by T. Nakane using OpenJDK (17.0.1) jar -xvf AVAAGA_dose_series.zip

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Metrics

Dataset Index

0.4

FAIR Score

79%

Citations

0

Mentions

0

Metrics Over Time

Publication Details

DOI

Publisher

Zenodo

License

Creative Commons Attribution 4.0 International

Open Access

Assigned Domain

Subfield

Spectroscopy

Field

Chemistry

Domain

Physical Sciences

Confidence Score

100%

Source

Open Alex

Normalization Factors

FT

65.38

CTw

1.00

MTw

1.00