7FBK
Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 53.510, 90.531, 162.463 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.820 - 1.900 |
| R-factor | 0.1989 |
| Rwork | 0.197 |
| R-free | 0.23940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7fbj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.906 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.820 | 19.820 | 1.940 |
| High resolution limit [Å] | 1.900 | 8.910 | 1.900 |
| Rmerge | 0.073 | 0.048 | 0.983 |
| Rmeas | 0.076 | 0.050 | 1.046 |
| Rpim | 0.021 | 0.014 | 0.351 |
| Total number of observations | 786807 | 6782 | 36215 |
| Number of reflections | 63067 | 634 | 4175 |
| <I/σ(I)> | 16.5 | 41.4 | 2 |
| Completeness [%] | 99.9 | 90.5 | 99.7 |
| Redundancy | 12.5 | 10.7 | 8.7 |
| CC(1/2) | 0.999 | 0.999 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 70mM Citric acid, 30mM Bis-Tris propane pH 3.4, 20% PEG 3350 |
