7BEL
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-88 and COVOX-45 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 | 2020-09-09 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 180.081, 140.721, 130.976 |
Unit cell angles | 90.00, 124.56, 90.00 |
Refinement procedure
Resolution | 49.410 - 2.530 |
R-factor | 0.2512 |
Rwork | 0.249 |
R-free | 0.28560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7bek |
RMSD bond length | 0.003 |
RMSD bond angle | 0.612 |
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] | 58.900 | 2.570 |
High resolution limit [Å] | 2.530 | 2.530 |
Rmerge | 0.189 | |
Number of reflections | 88040 | 3392 |
<I/σ(I)> | 5.6 | 0.3 |
Completeness [%] | 97.8 | |
Redundancy | 6.6 | |
CC(1/2) | 0.995 | 0.326 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | 0.15 M (NH4)2SO4, 0.1 M Tris pH 8.0 and 15% (w/v) PEG 4000 |