7C6U
Crystal structure of SARS-CoV-2 complexed with GC376
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 | 2020-05-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.003, 79.607, 51.851 |
| Unit cell angles | 90.00, 114.71, 90.00 |
Refinement procedure
| Resolution | 43.260 - 2.000 |
| R-factor | 0.2419 |
| Rwork | 0.241 |
| R-free | 0.25120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7BRR |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.502 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 24996 | 2480 |
| <I/σ(I)> | 34.4 | |
| Completeness [%] | 99.8 | |
| Redundancy | 7.5 | |
| CC(1/2) | 0.993 | 0.985 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 0.1 M MES monohydrate pH 6.0, 14% w/v Polyethylene glycol 4000 |
