7JMP
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody COVA2-39
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.905, 80.445, 72.006 |
Unit cell angles | 90.00, 104.88, 90.00 |
Refinement procedure
Resolution | 34.824 - 1.712 |
R-factor | 0.1783 |
Rwork | 0.177 |
R-free | 0.20910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w41 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.750 |
High resolution limit [Å] | 1.712 | 4.670 | 1.720 |
Rmerge | 0.057 | 0.034 | 0.934 |
Rmeas | 0.066 | 0.039 | 1.103 |
Rpim | 0.032 | 0.018 | 0.576 |
Number of reflections | 79139 | 4059 | 3920 |
<I/σ(I)> | 11.6 | ||
Completeness [%] | 97.2 | 96.8 | 97.6 |
Redundancy | 3.6 | 3.8 | 3.5 |
CC(1/2) | 0.998 | 0.506 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M sodium citrate pH 5.6 20% isopropanol 10% ethylene glycol 20% polyethylene glycol 4000 |