7LOP
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV05-163 and CR3022
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0337 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.995, 132.884, 111.326 |
Unit cell angles | 90.00, 100.68, 90.00 |
Refinement procedure
Resolution | 49.386 - 2.246 |
R-factor | 0.2222 |
Rwork | 0.220 |
R-free | 0.26800 |
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 | 2.290 |
High resolution limit [Å] | 2.246 | 6.100 | 2.250 |
Rmerge | 0.146 | 0.060 | 0.638 |
Rmeas | 0.174 | 0.071 | 0.795 |
Rpim | 0.094 | 0.038 | 0.466 |
Number of reflections | 115448 | 5939 | 5324 |
<I/σ(I)> | 4.3 | ||
Completeness [%] | 98.9 | 99.7 | 91.5 |
Redundancy | 3.2 | 3.3 | 2.4 |
CC(1/2) | 0.995 | 0.615 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293.15 | 0.1 M sodium citrate - citric acid buffer at pH 4.8 and 19% (w/v) polyethylene glycol 6000 |