8Q95
Crystal structure of the SARS-CoV-2 BA.1 RBD with neutralizing-VHHs Ma16B06 and Ma3F05
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 | 2022-05-09 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 82.222, 89.560, 72.198 |
Unit cell angles | 90.00, 111.63, 90.00 |
Refinement procedure
Resolution | 38.220 - 1.600 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.20620 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.332 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.220 | 38.220 | 1.540 |
High resolution limit [Å] | 1.450 | 4.330 | 1.450 |
Rmerge | 0.081 | 0.064 | 1.500 |
Rmeas | 0.096 | 0.076 | 1.808 |
Number of reflections | 165939 | 6310 | 26165 |
<I/σ(I)> | 8.08 | ||
Completeness [%] | 97.4 | ||
Redundancy | 6.7 | ||
CC(1/2) | 0.990 | 0.990 | 0.460 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.8 | 293 | 0.1 M HEPES, 20% (v/v) PEG smear high, 0.15 M Lithium sulphate, 0.05 M magnesium chloride |