7CHE
Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab and BD-368-2 Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2020-06-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 100.016, 114.296, 116.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.619 - 3.416 |
R-factor | 0.2262 |
Rwork | 0.225 |
R-free | 0.23880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w41 |
RMSD bond length | 0.028 |
RMSD bond angle | 2.951 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.11.1_2575) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.510 |
High resolution limit [Å] | 3.416 | 3.450 |
Number of reflections | 17742 | 1036 |
<I/σ(I)> | 11.55 | |
Completeness [%] | 94.5 | |
Redundancy | 12.7 | |
CC(1/2) | 0.980 | 0.692 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium acetate pH 4.0 and 10% (w/v) Polyethylene glycol monomethyl ether 2,000 |