7N4M
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2151.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-E |
Synchrotron site | APS |
Beamline | 21-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-04 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 112.913, 112.913, 239.508 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.994 - 3.790 |
R-factor | 0.2604 |
Rwork | 0.258 |
R-free | 0.31680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xwd 4rir |
RMSD bond length | 0.002 |
RMSD bond angle | 0.500 |
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] | 119.750 | 3.780 |
High resolution limit [Å] | 3.570 | 3.570 |
Rpim | 0.060 | |
Number of reflections | 35105 | 5627 |
<I/σ(I)> | 13 | |
Completeness [%] | 99.7 | 98.3 |
Redundancy | 13 | 13.2 |
CC(1/2) | 0.990 | 0.140 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 0.1 M Sodium acetate trihydrate pH 4.6, 2.0 M Ammonium sulfate |