4X2V
Crystal structure of the Murine Norovirus NS6 protease (inactive C139A mutant) with a C-terminal extension to include residue P1 prime of NS7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-20 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.640, 111.860, 81.290 |
| Unit cell angles | 90.00, 119.24, 90.00 |
Refinement procedure
| Resolution | 70.890 - 2.300 |
| R-factor | 0.2317 |
| Rwork | 0.230 |
| R-free | 0.27810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ash |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.605 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.930 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.084 | 0.860 |
| Number of reflections | 34593 | |
| <I/σ(I)> | 6.7 | 1.2 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 291.15 | 10% (v/v) poly-ethylene glycol (PEG) 10000, 20% (v/v) ethylene glycol, 0.1 M MES/Imidazole pH 6.3 |
