7N4L
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing human antibody WRAIR-2125.
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 | 2021-04-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97 |
Spacegroup name | P 61 |
Unit cell lengths | 188.870, 188.870, 65.170 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.983 - 3.601 |
R-factor | 0.2658 |
Rwork | 0.262 |
R-free | 0.32940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7l2e |
RMSD bond length | 0.005 |
RMSD bond angle | 0.894 |
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] | 163.600 | 3.710 |
High resolution limit [Å] | 3.430 | 3.430 |
Number of reflections | 16510 | 8436 |
<I/σ(I)> | 4.3 | |
Completeness [%] | 78.0 | |
Redundancy | 2.4 | |
CC(1/2) | 0.980 | 0.400 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.12 M alcohol mixture (1,6-Hexanediol; 1-Butanol; 1,2-Propanediol; 2-Propanol; 1,4-Butanediol; 1,3-Propanediol), 0.1M buffer system 3 (Tris base and BICINE, pH 8.5), 50% precipitant mix 4 (25% v/v MPD; 25% PEG 1000; 25% w/v PEG 3350) and 0.1 M Manganese(II) chloride tetrahydrate |