CXIDB ID 187 | |
Deposition Summary | |
---|---|
Depositor: | Tomas Ekeberg |
Contact: | [email protected] |
Deposition date: | 2024-02-08 |
Last modified: | 2024-02-08 |
DOI: | 10.11577/2290448 |
Publication Details | |
Title: | Observation of a single protein by ultrafast X-ray diffraction |
Authors: | Tomas Ekeberg et al. |
Journal: | Light Science & Applications |
Year: | 2024 |
DOI: | 10.1038/s41377-023-01352-7 |
Experimental Conditions | |
Method: | Single Particle X-ray Diffraction Imaging |
Sample: | GroEL |
Wavelength: | 1.033 nm (1200 eV) |
Lightsource: | European XFEL |
Beamline: | SQS - NQS |
Data Files | |
Raw data: | runs/ |
Auxiliary Files | |
Detector Histogram: | histograms.h5 (480 MB) |
Detector Mask: | mask.h5 (1 MB) |
Rotations Search List: | rotations.h5 (804.5 KB) |
Dry GroEL complex: | 1SS8.pdb (4.18 MB) |
Hydrated GroEL: | 1SS8_H2O.pdb (36.63 MB) |
Analysis Description: | github.com/ekeberg/Ekeberg2022GroEL |
Description
- runs/ - The raw data from the pnCCD
- histograms.h5 - Histogram of the values recorded by each pixel throughout the data acquisition. Used for pedestal and gain correction.
- mask.h5 - Detector bad pixels mask.
- 1SS8.pdb - PDB model of the assembled GroEL 14-mer, from the 1SS8 PDB entry.
- 1SS8_H2O.pdb - Hydrated version of the assembled GroEL 14-mer, derived from the 1SS8 PDB entry. The various hydrated models are created by removing water from this initial model.
- rotations.h5 - Quaternions of the rotations used for template matching