8SDH
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC25.56
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 171.052, 105.586, 98.993 |
Unit cell angles | 90.00, 117.31, 90.00 |
Refinement procedure
Resolution | 47.690 - 2.840 |
R-factor | 0.2477 |
Rwork | 0.246 |
R-free | 0.28260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.817 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.819 | 2.890 |
High resolution limit [Å] | 2.840 | 2.840 |
Number of reflections | 36671 | 1820 |
<I/σ(I)> | 6.2 | |
Completeness [%] | 99.1 | |
Redundancy | 6.2 | |
CC(1/2) | 0.971 | 0.364 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 10% ethylene glycol (v/v), 0.11 M MgCl2, and 16% polyethylene glycol 3350 (w/v) |