4WMF
Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup P212121
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-22 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.059, 120.391, 138.884 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.970 |
| R-factor | 0.19451 |
| Rwork | 0.193 |
| R-free | 0.22612 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yna chain A |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.539 |
| Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.775 | |
| Number of reflections | 107729 | |
| <I/σ(I)> | 40.5 | 2.2 |
| Completeness [%] | 96.4 | 93.1 |
| Redundancy | 7 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | 20.3 mg/mL protein, well solution: 0,1M Hepes pH 7.5, 0.2M proline, 10% w/v polyethylene glycol 3350 |
