8QH1
Crystal structure of the SARS-CoV-2 RBD from the Omicron BA4 variant with the antibody Cv2.3194
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-02-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.919 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 57.793, 85.348, 193.987 |
Unit cell angles | 90.00, 97.48, 90.00 |
Refinement procedure
Resolution | 39.010 - 2.650 |
R-factor | 0.1994 |
Rwork | 0.198 |
R-free | 0.23230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.529 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.010 | 2.780 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.094 | 1.489 |
Rpim | 0.060 | 0.952 |
Number of reflections | 27213 | 3610 |
<I/σ(I)> | 6.7 | |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20% PEG 3350, 0.2 M sodium malonate |