8GB5
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 25F9
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 | 2022-09-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 |
| Unit cell lengths | 92.485, 105.824, 118.179 |
| Unit cell angles | 83.08, 67.47, 64.04 |
Refinement procedure
| Resolution | 47.490 - 3.350 |
| R-factor | 0.277 |
| Rwork | 0.275 |
| R-free | 0.31960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.555 |
| 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 | 3.100 |
| High resolution limit [Å] | 3.050 | 8.270 | 3.050 |
| Rmerge | 0.867 | 0.137 | 1.262 |
| Total number of observations | 187691 | ||
| Number of reflections | 128807 | 6512 | 6307 |
| <I/σ(I)> | 1.3 | ||
| Completeness [%] | 91.5 | 92.6 | 88.5 |
| Redundancy | 1.5 | 1.5 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 1.6 M ammonium sulfate, 0.1 M bicine pH 9, and 15% glycerol |
