7KN7
Crystal structure of SARS-CoV-2 receptor binding domain complexed with nanobody VHH W and antibody Fab CC12.3
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 | C 1 2 1 |
Unit cell lengths | 192.400, 105.879, 55.746 |
Unit cell angles | 90.00, 101.86, 90.00 |
Refinement procedure
Resolution | 49.180 - 2.730 |
R-factor | 0.2054 |
Rwork | 0.203 |
R-free | 0.24090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xc7 7jmw 6waq |
RMSD bond length | 0.003 |
RMSD bond angle | 0.746 |
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 | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.730 | 2.730 |
Rmerge | 0.181 | 0.585 |
Rpim | 0.084 | 0.370 |
Number of reflections | 28107 | 1330 |
<I/σ(I)> | 9.3 | 1.1 |
Completeness [%] | 98.1 | 93 |
Redundancy | 5.3 | 2.9 |
CC(1/2) | 0.969 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.0 M Li-chloride, 10% PEG-6000, 0.1 M Bicine pH 9.0 |