8GB6
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 21B6
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 | 2022-04-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.651, 78.828, 131.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.500 - 1.750 |
| R-factor | 0.1832 |
| Rwork | 0.182 |
| R-free | 0.22070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.532 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 4.750 | 1.750 |
| Rmerge | 0.991 | 0.067 | 0.889 |
| Total number of observations | 882876 | ||
| Number of reflections | 144162 | 7147 | 7014 |
| <I/σ(I)> | 4.7 | ||
| Completeness [%] | 97.2 | 96 | 94.6 |
| Redundancy | 6.1 | 6.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.3 | 298.15 | 0.1 M sodium citrate, pH 3.3 and 1.45 M ammonium sulfate |
