6T1Q
3C-like protease from Southampton norovirus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.92819 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 63.133, 89.359, 61.581 |
| Unit cell angles | 90.00, 96.48, 90.00 |
Refinement procedure
| Resolution | 41.290 - 1.300 |
| R-factor | 0.1534 |
| Rwork | 0.151 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iph |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.882 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.290 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.044 | 1.396 |
| Rmeas | 0.048 | 1.525 |
| Rpim | 0.018 | 0.606 |
| Number of reflections | 83130 | 6151 |
| <I/σ(I)> | 13.6 | 1.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.6 | |
| CC(1/2) | 1.000 | 0.553 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.2 M ammonium citrate, 12% (v/v) PEG3350. |
