4X2W
Crystal structure of the Murine Norovirus NS6 protease (inactive C139A mutant) with a C-terminal extension to include residues P1 prime - P2 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 | 2013-04-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 135.940, 135.940, 82.380 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 117.850 - 2.700 |
| R-factor | 0.256 |
| Rwork | 0.254 |
| R-free | 0.30250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ash |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.608 |
| 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] | 117.850 | 3.310 |
| High resolution limit [Å] | 2.700 | 3.100 |
| Rmerge | 0.085 | 0.915 |
| Number of reflections | 8555 | |
| <I/σ(I)> | 10.9 | 2.1 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 5.7 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | 15% (v/v) PEG 3350, 0.1 M glycine, 0.1 M Na-citrate pH 7.0 |
