8GF2
Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies eCR3022.20 and CC12.3
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 | 2020-06-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 157.570, 161.220, 230.117 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.827 - 2.851 |
R-factor | 0.2111 |
Rwork | 0.209 |
R-free | 0.25180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xc7 |
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 | 2.900 |
High resolution limit [Å] | 2.850 | 7.730 | 2.850 |
Rmerge | 0.145 | 0.058 | 1.061 |
Rmeas | 0.158 | 0.063 | 1.155 |
Rpim | 0.062 | 0.025 | 0.452 |
Total number of observations | 434051 | ||
Number of reflections | 67940 | 3605 | 3418 |
<I/σ(I)> | 4.7 | ||
Completeness [%] | 99.4 | 99.3 | 99.9 |
Redundancy | 6.4 | 6 | 6.4 |
CC(1/2) | 0.997 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M sodium citrate - citric acid buffer pH 5.0, 15% (v/v) ethylene glycol, 1 M lithium chloride, and 10% (w/v) polyethylene glycol 6000 |