8FI9
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5001
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 141.508, 115.565, 142.167 |
| Unit cell angles | 90.00, 111.97, 90.00 |
Refinement procedure
| Resolution | 19.990 - 4.200 |
| R-factor | 0.2543 |
| Rwork | 0.252 |
| R-free | 0.29580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.610 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.310 | 4.420 |
| High resolution limit [Å] | 4.190 | 4.190 |
| Number of reflections | 31815 | 4553 |
| <I/σ(I)> | 1.1 | |
| Completeness [%] | 99.6 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.981 | 0.348 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Sodium chloride, 0.1 M Phosphate-citrate pH 4.5, 20% w/v PEG 8000 |
