7BEN
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253 and COVOX-75 Fabs
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 | 2020-11-20 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.188, 149.794, 229.099 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.380 - 2.500 |
R-factor | 0.2425 |
Rwork | 0.240 |
R-free | 0.28220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7bel |
RMSD bond length | 0.003 |
RMSD bond angle | 0.584 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.1_3865) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.100 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.283 | |
Rpim | 0.056 | |
Number of reflections | 111578 | 5490 |
<I/σ(I)> | 7.3 | 0.3 |
Completeness [%] | 100.0 | |
Redundancy | 26.6 | |
CC(1/2) | 0.999 | 0.623 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.1 M BIS-TRIS pH 6.5, 16% (w/v) PEG 10000 |