7CH5
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 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 | CCD |
Collection date | 2020-06-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.049, 102.347, 164.822 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.160 - 2.700 |
R-factor | 0.2285 |
Rwork | 0.227 |
R-free | 0.25980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6m0j |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 26831 | 1283 |
<I/σ(I)> | 13.78 | |
Completeness [%] | 100.0 | |
Redundancy | 12.2 | |
CC(1/2) | 0.993 | 0.906 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M Sodium citrate tribasic dihydrate pH 5.0 and 18% w/v Polyethylene glycol 20000 |