7VOA
Crystal structure of SARS-CoV-2 RBD in complex with aRBD5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 190 |
Detector technology | PIXEL |
Collection date | 2021-05-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.440, 87.700, 89.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.822 - 1.800 |
R-factor | 0.1884 |
Rwork | 0.186 |
R-free | 0.22620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w41 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.356 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (dev_2481) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.822 | 45.822 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.102 | 0.068 | 2.424 |
Rmeas | 0.107 | 0.072 | 2.525 |
Total number of observations | 500053 | ||
Number of reflections | 38650 | 507 | 2755 |
<I/σ(I)> | 13.34 | 33.63 | 1.17 |
Completeness [%] | 97.8 | 98.4 | 95.4 |
Redundancy | 12.938 | 10.679 | 12.642 |
CC(1/2) | 0.998 | 0.995 | 0.589 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291.15 | 0.1M Sodium cacodylate pH 5.5, 25%(w/v) PEG 4000 |