8GZ6
Crystal structure of neutralizing VHH P17 in complex with SARS-CoV-2 Alpha variant spike receptor-binding domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.758, 32.113, 84.566 |
| Unit cell angles | 90.00, 93.96, 90.00 |
Refinement procedure
| Resolution | 42.180 - 1.350 |
| R-factor | 0.1501 |
| Rwork | 0.149 |
| R-free | 0.17950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8gz5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.217 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.180 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmeas | 0.042 | 0.885 |
| Number of reflections | 46794 | 2408 |
| <I/σ(I)> | 9.5 | |
| Completeness [%] | 99.0 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.999 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M Bis-Tris propane pH 8.5, 24.5% w/v polyethylene glycol 6000 |
