7KN3
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain complexed with a pre-pandemic antibody S-B8 Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03317 |
Spacegroup name | H 3 |
Unit cell lengths | 191.564, 191.564, 117.371 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.908 - 2.251 |
R-factor | 0.1881 |
Rwork | 0.186 |
R-free | 0.22190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jmw |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.300 |
High resolution limit [Å] | 2.250 | 5.550 | 2.250 |
Rmerge | 0.098 | 0.059 | 0.446 |
Rmeas | 0.106 | 0.064 | 0.534 |
Rpim | 0.040 | 0.023 | 0.285 |
Total number of observations | 475304 | ||
Number of reflections | 74079 | 5108 | 3622 |
<I/σ(I)> | 6 | ||
Completeness [%] | 97.4 | 100 | 71.4 |
Redundancy | 6.4 | 7.4 | 2.6 |
CC(1/2) | 0.998 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 20% PEG 3350, 0.2 M sodium sulfate, pH 6.6 |