7BEO
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253H55L 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 | 2020-11-27 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.421, 150.070, 116.080 |
Unit cell angles | 90.00, 91.98, 90.00 |
Refinement procedure
Resolution | 58.010 - 3.190 |
R-factor | 0.2361 |
Rwork | 0.234 |
R-free | 0.27350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ben |
RMSD bond length | 0.002 |
RMSD bond angle | 0.504 |
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] | 66.400 | 3.250 |
High resolution limit [Å] | 3.190 | 3.190 |
Rmerge | 0.412 | |
Number of reflections | 53225 | 2657 |
<I/σ(I)> | 4 | 0.5 |
Completeness [%] | 100.0 | |
Redundancy | 6.9 | |
CC(1/2) | 0.977 | 0.280 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1 M ammonium acetate, 0.1 M bis-Tris pH 5.5 and 17% (w/v) PEG 10000 |