7N4I
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2057.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-21 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97 |
Spacegroup name | P 43 |
Unit cell lengths | 73.931, 73.931, 149.176 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.871 - 2.284 |
R-factor | 0.2018 |
Rwork | 0.200 |
R-free | 0.23780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zd3 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.755 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.460 |
High resolution limit [Å] | 2.280 | 2.280 |
Rpim | 0.050 | |
Number of reflections | 36098 | 3406 |
<I/σ(I)> | 19 | |
Completeness [%] | 99.3 | |
Redundancy | 5.1 | |
CC(1/2) | 0.990 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 8% v/v Tacsimate pH 5.0, 20% w/v Polyethylene glycol 3,350 |