7ZF7
SARS-CoV-2 Omicron BA.2 RBD in complex with ACE2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-07 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 104.152, 104.152, 223.701 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.220 - 3.460 |
R-factor | 0.259 |
Rwork | 0.258 |
R-free | 0.26900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7nxc |
RMSD bond length | 0.002 |
RMSD bond angle | 0.446 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.000 | 3.520 |
High resolution limit [Å] | 3.460 | 3.460 |
Rmerge | 0.703 | |
Number of reflections | 16805 | 829 |
<I/σ(I)> | 3.1 | 0.3 |
Completeness [%] | 99.6 | |
Redundancy | 26.4 | |
CC(1/2) | 0.992 | 0.317 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.09 M MES monohydrate pH 6.0, 18% (w/v) PEG monomethyl ether 2000 |