7XSB
Crystal structure of SARS-CoV-2 spike receptor binding domain bound with P5S-3B11 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 | 2021-09-23 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 127.766, 85.732, 136.623 |
Unit cell angles | 90.00, 90.39, 90.00 |
Refinement procedure
Resolution | 46.820 - 3.200 |
R-factor | 0.2609 |
Rwork | 0.258 |
R-free | 0.32430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6m0j |
RMSD bond length | 0.010 |
RMSD bond angle | 1.235 |
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 | 3.270 |
High resolution limit [Å] | 3.200 | 7.880 | 3.200 |
Rmerge | 0.171 | 0.086 | 1.037 |
Rmeas | 0.278 | 0.093 | 1.147 |
Rpim | 0.107 | 0.036 | 0.477 |
Number of reflections | 48152 | 3355 | 2992 |
<I/σ(I)> | 2.8 | ||
Completeness [%] | 98.5 | 98.8 | 92.3 |
Redundancy | 6.4 | 6.6 | 4.8 |
CC(1/2) | 0.975 | 0.993 | 0.639 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.05M Citric acid pH 4.4, 0.05M BIS-TRIS propane, 16% w/v Polyethylene glycol 3350 |