Deposition Summary
Depositor: Wolfgang Brehm
Contact: [email protected]
Deposition date: 2023-02-23
Last modified: 2023-02-23
DOI: 10.11577/1958707
Publication Details
Title: Crystal Diffraction Prediction and Partiality estimation using Gaussian basis functions
Authors: Wolfgang Brehm et al.
Journal: Acta Cryst. A
Year: 2023
DOI: 10.1107/S2053273323000682
Experimental Conditions
Method: Serial Femtosecond Crystallography
Sample: Cydia pomonella granulovirus hull protein
Wavelength: 1.33 Å (9.335 keV)
Lightsource: European XFEL
Beamline: SPB/SFX
Data Files
Raw Data: r0041-gv_snr5_dark47/
Raw Data: r0042-gv_snr5_dark47/
Raw Data: r0043-gv_snr5_dark47/
Raw Data: r0044-gv_snr5_dark47/
Raw Data: r0045-gv_snr5_dark47/
Auxiliary Files
Description: README.txt (1 KB)
Geometry: agipd_2442_v2_gv_mg_41-45.geom (30.05 KB)
Unit Cell: gv.pdb (61 B)


A small dataset with good data quality, useful as a benchmark.

There exists a two-fold indexing ambiguity, so when processing with CrystFEL you will need to do: ambigator -o -y m-3 -w m-3m -j 72

Please check the README file for more information about the dataset.

—– Begin unit cell —– CrystFEL unit cell file version 1.0

lattice_type = cubic centering = I a = 103.40 A b = 103.40 A c = 103.40 A al = 90.00 deg be = 90.00 deg ga = 90.00 deg ; Please note: this is the target unit cell. ; The actual unit cells produced by indexing depend on many other factors. —– End unit cell —–

Licensed under the CC0 Public Domain Dedication Waiver.

Please give proper credit via citations according to established scientific practice.