7JMW
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with cross-neutralizing antibody COVA1-16 Fab
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 | 57.403, 124.905, 57.614 |
Unit cell angles | 90.00, 96.10, 90.00 |
Refinement procedure
Resolution | 42.770 - 2.890 |
R-factor | 0.2407 |
Rwork | 0.238 |
R-free | 0.29080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xc4 4imk 2q20 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.677 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.950 |
High resolution limit [Å] | 2.890 | 2.890 |
Rpim | 0.090 | 0.429 |
Number of reflections | 17656 | 845 |
<I/σ(I)> | 7.4 | 1.2 |
Completeness [%] | 97.9 | |
Redundancy | 3.7 | |
CC(1/2) | 0.963 | 0.668 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 293.15 | 20% PEG 3350, 0.2 M Na-iodide, pH 6.9 |