8E7N
Crystal structure of beluga whale Gammacoronavirus SW1 Mpro with GC-376 captured in two conformational states
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-04 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.083, 84.159, 68.498 |
| Unit cell angles | 90.00, 93.09, 90.00 |
Refinement procedure
| Resolution | 12.240 - 1.650 |
| R-factor | 0.1602 |
| Rwork | 0.159 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Not submitted |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.512 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.240 | 1.709 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.056 | 0.486 |
| Rmeas | 0.068 | 0.615 |
| Rpim | 0.039 | 0.370 |
| Number of reflections | 81531 | 7698 |
| <I/σ(I)> | 11.31 | 1.61 |
| Completeness [%] | 95.0 | 90.26 |
| Redundancy | 2.4 | 2 |
| CC(1/2) | 0.997 | 0.735 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 10-20 % (w/v) PEG 3350, 0.20-0.30 M NaCl, and 0.1 M Bis-Tris methane pH 5.5 |
