6XKQ
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-250
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 21 21 21 |
Unit cell lengths | 67.970, 80.070, 153.685 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.102 - 2.550 |
R-factor | 0.2065 |
Rwork | 0.204 |
R-free | 0.25460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w41 |
Data reduction software | HKL-3000 |
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 | 2.590 |
High resolution limit [Å] | 2.550 | 6.920 | 2.550 |
Rmerge | 0.119 | 0.053 | 0.946 |
Rmeas | 0.126 | 0.056 | 1.027 |
Rpim | 0.041 | 0.019 | 0.389 |
Total number of observations | 245129 | ||
Number of reflections | 27942 | 1537 | 1352 |
<I/σ(I)> | 6.2 | ||
Completeness [%] | 99.6 | 99.1 | 98.9 |
Redundancy | 8.8 | 8 | 6.5 |
CC(1/2) | 0.998 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 0.085 M HEPES pH 7.5 10% (v/v) ethylene glycol 15% (v/v) glycerol 8.5% (v/v) 2-propanol 17% (w/v) polyethylene glycol 4000 |