7XS8
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-1H1 Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-23 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 195.107, 86.399, 56.555 |
Unit cell angles | 90.00, 100.24, 90.00 |
Refinement procedure
Resolution | 48.000 - 2.800 |
R-factor | 0.218 |
Rwork | 0.215 |
R-free | 0.26740 |
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 | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.870 |
High resolution limit [Å] | 2.800 | 6.900 | 2.800 |
Rmerge | 0.231 | 0.100 | 0.958 |
Rmeas | 0.251 | 0.108 | 1.053 |
Rpim | 0.097 | 0.042 | 0.428 |
Total number of observations | 147555 | ||
Number of reflections | 22719 | 1572 | 1407 |
<I/σ(I)> | 3.8 | ||
Completeness [%] | 98.6 | 98.9 | 93.8 |
Redundancy | 6.5 | 6.5 | 5.3 |
CC(1/2) | 0.993 | 0.717 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 2% v/v Tacsimate pH 5.0, 0.1M Sodium citrate tribasic dihydrate pH 5.4, 13% w/v Polyethylene glycol 3350 |