7TP3
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2
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 | 2021-02-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.462, 88.553, 131.495 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.500 - 2.330 |
R-factor | 0.1875 |
Rwork | 0.185 |
R-free | 0.23060 |
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 (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.370 |
High resolution limit [Å] | 2.330 | 6.320 | 2.330 |
Rmerge | 0.143 | 0.068 | 1.066 |
Rmeas | 0.154 | 0.074 | 1.169 |
Rpim | 0.056 | 0.027 | 0.464 |
Total number of observations | 260172 | ||
Number of reflections | 35809 | 1973 | 1517 |
<I/σ(I)> | 7.6 | ||
Completeness [%] | 97.7 | 98.7 | 85.8 |
Redundancy | 7.3 | 7.2 | 5.4 |
CC(1/2) | 0.996 | 0.533 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M sodium cacodylate pH 6.5, 40% (v/v) 2-methyl-2,4-pentanediol, and 5% (w/v) polyethylene glycol (PEG) 8000 |