8WDR
Crystal structure of BQ.1.1 RBD complexed with human ACE2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 123.583, 135.407, 154.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.750 - 3.470 |
R-factor | 0.2144 |
Rwork | 0.211 |
R-free | 0.26910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6lzg |
RMSD bond length | 0.003 |
RMSD bond angle | 0.574 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.580 |
High resolution limit [Å] | 3.460 | 3.460 |
Number of reflections | 32701 | 3173 |
<I/σ(I)> | 1 | |
Completeness [%] | 96.0 | |
Redundancy | 3.4 | |
CC(1/2) | 0.974 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Sodium citrate 5.5, 15% w/v PEG 6000 (MD1-38-1-43) |