8SMI
Crystal structure of antibody WRAIR-2123 in complex with SARS-CoV-2 receptor binding domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 39.290, 94.430, 201.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.410 - 3.500 |
R-factor | 0.2444 |
Rwork | 0.242 |
R-free | 0.29490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.697 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.710 |
High resolution limit [Å] | 3.500 | 3.500 |
Number of reflections | 16572 | 2649 |
<I/σ(I)> | 5.1 | |
Completeness [%] | 90.1 | |
Redundancy | 3.4 | |
CC(1/2) | 0.890 | 0.830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 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), 0.1 M Manganese(II) chloride tetrahydrate |