7XBY
The crystal structure of SARS-CoV-2 Omicron BA.1 variant RBD in complex with equine ACE2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-10 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.979183 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 113.975, 113.975, 152.738 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.900 - 2.850 |
R-factor | 0.2298 |
Rwork | 0.228 |
R-free | 0.26260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6lzg |
RMSD bond length | 0.003 |
RMSD bond angle | 0.581 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19rc3_4028) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.960 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.160 | 1.252 |
Number of reflections | 27326 | 2682 |
<I/σ(I)> | 13.1 | 1.4 |
Completeness [%] | 99.7 | |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M Sodium bromide, 0.1M Bis-Tris propane 8.5, 20 % (w/v) PEG 3350 |