7URQ
Crystal Structure of SARS-CoV-2 S delta variant receptor-binding domain (RBD) in complex CoV11 Fab crystal form 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 85.818, 103.551, 112.104 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.230 - 2.050 |
R-factor | 0.1789 |
Rwork | 0.177 |
R-free | 0.20790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7s4s |
RMSD bond length | 0.008 |
RMSD bond angle | 1.010 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.1_4122: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.128 | 0.827 |
Rpim | 0.056 | 0.467 |
Number of reflections | 59785 | 2350 |
<I/σ(I)> | 19.9 | 1.3 |
Completeness [%] | 93.3 | 74.8 |
Redundancy | 5.6 | 3.4 |
CC(1/2) | 0.986 | 0.485 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 10% PEG 4000 0.2 M sodium acetate 0.1 M sodium citrate pH 5.5 |