8Q7S
Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.235, 100.836, 192.173 |
Unit cell angles | 90.00, 95.63, 90.00 |
Refinement procedure
Resolution | 48.250 - 2.700 |
R-factor | 0.2336 |
Rwork | 0.233 |
R-free | 0.28270 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.462 |
Data reduction software | XDS (VERSION Jan 10, 2022 BUILT=20220110) |
Data scaling software | XDS (VERSION Jan 10, 2022 BUILT=20220110) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.250 | 7.350 | 2.630 |
High resolution limit [Å] | 2.480 | 5.230 | 2.480 |
Rmerge | 0.140 | 0.087 | 1.204 |
Rmeas | 0.169 | 0.103 | 1.516 |
Number of reflections | 161468 | 11895 | 22293 |
<I/σ(I)> | 6.02 | ||
Completeness [%] | 91.6 | ||
Redundancy | 3 | ||
CC(1/2) | 0.989 | 0.986 | 0.496 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293.15 | 0.1 M Sodium Citrate pH 4.5 20% (w/v) PEG 4000 |