7Z0Y
THSC20.HVTR04 Fab bound to SARS-CoV-2 Receptor Binding Domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 126.157, 126.157, 167.454 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.950 |
R-factor | 0.2198 |
Rwork | 0.219 |
R-free | 0.24090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
Data reduction software | autoPROC |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.050 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.056 | 0.340 |
Rmeas | 0.080 | 0.437 |
Rpim | 0.056 | 0.309 |
Number of reflections | 23099 | 691 |
<I/σ(I)> | 17.4 | 3 |
Completeness [%] | 78.0 | |
Redundancy | 2 | 2 |
CC(1/2) | 0.991 | 0.598 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293 | 1.5M ammonium sulfate, 12%(v/v) isopropanol, 0.1M imidazole HCl pH 6.5 |