7ORB
Crystal structure of the L452R mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-75 and COVOX-253 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 | 2021-04-30 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.239, 149.425, 115.040 |
Unit cell angles | 90.00, 92.03, 90.00 |
Refinement procedure
Resolution | 73.670 - 2.500 |
R-factor | 0.2148 |
Rwork | 0.213 |
R-free | 0.25130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ben |
RMSD bond length | 0.002 |
RMSD bond angle | 0.559 |
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] | 75.000 | 2.580 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.300 | |
Rpim | 0.058 | |
Number of reflections | 108845 | 5144 |
<I/σ(I)> | 5.6 | 0.4 |
Completeness [%] | 99.8 | |
Redundancy | 28.1 | |
CC(1/2) | 0.993 | 0.609 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M BIS-TRIS pH 6.5 and 16% (w/v) PEG 10000 |