7NX8
Crystal structure of the K417T mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and EY6A 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 | 2021-02-23 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.843, 122.727, 213.859 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.620 - 1.950 |
R-factor | 0.2243 |
Rwork | 0.223 |
R-free | 0.24580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7nx6 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.478 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.000 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.120 | |
Rpim | 0.034 | |
Number of reflections | 106251 | 5188 |
<I/σ(I)> | 12 | 0.4 |
Completeness [%] | 100.0 | |
Redundancy | 13.4 | |
CC(1/2) | 0.996 | 0.354 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.15 M Lithium sulfate, 0.1 M Citric acid pH 3.5, 18% w/v PEG 6,000. |