8GB7
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 20A7
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 | 2022-06-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.751, 131.421, 174.054 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.480 - 2.570 |
| R-factor | 0.2058 |
| Rwork | 0.204 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.643 |
| 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 | 2.620 |
| High resolution limit [Å] | 2.570 | 7.000 | 2.580 |
| Rmerge | 0.986 | 0.062 | 0.776 |
| Number of reflections | 62503 | 3167 | 2846 |
| <I/σ(I)> | 4.2 | ||
| Completeness [%] | 98.9 | 99.4 | 88.3 |
| Redundancy | 6.2 | 6.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298.15 | 0.2 M CaCl2, 10% ethylene glycol (v/v), and 20% polyethylene glycol 3350 (w/v) |
