8E7T
Crystal structure of Middle East respiratory syndrome coronavirus (MERS-CoV) 3CL protease inactive mutant C148A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-04 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.411, 90.010, 120.517 |
| Unit cell angles | 90.00, 108.33, 90.00 |
Refinement procedure
| Resolution | 24.930 - 2.500 |
| R-factor | 0.1884 |
| Rwork | 0.186 |
| R-free | 0.24410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wme |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.574 |
| 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] | 24.930 | 2.589 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.191 | |
| Rmeas | 0.205 | |
| Rpim | 0.075 | |
| Number of reflections | 45868 | 4543 |
| <I/σ(I)> | 10.61 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 7.4 |
| CC(1/2) | 0.992 | 0.675 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 10-20 % (w/v) PEG3350, 0.20-0.30 M NaCl, and 0.1 M Bis-Tris methane pH 5.5 |
