7Y9N
an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.977, 40.495, 88.014 |
| Unit cell angles | 90.00, 105.31, 90.00 |
Refinement procedure
| Resolution | 25.248 - 1.885 |
| R-factor | 0.2007 |
| Rwork | 0.200 |
| R-free | 0.21240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6lxt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.705 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.885 | 1.900 |
| Rmerge | 0.102 | 0.640 |
| Number of reflections | 19228 | 1901 |
| <I/σ(I)> | 26.444 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Citric acid (pH 3.5), 14% w/v Polyethylene glycol 1000 |
