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:


  • 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

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