7BEK
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2)
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 2 2 21 |
Unit cell lengths | 83.020, 149.410, 145.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.710 - 2.040 |
R-factor | 0.2008 |
Rwork | 0.200 |
R-free | 0.21950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ebj |
RMSD bond length | 0.002 |
RMSD bond angle | 0.562 |
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] | 51.400 | 2.080 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.118 | |
Rpim | 0.033 | |
Number of reflections | 57747 | 2799 |
<I/σ(I)> | 13.1 | 0.5 |
Completeness [%] | 99.9 | |
Redundancy | 13.4 | |
CC(1/2) | 0.999 | 0.345 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 294 | 0.15 M (NH4)2SO4, 0.1 M Tris pH 7.6 and 14.6% (w/v) PEG 4000 |