4ASH
Crystal structure of the NS6 protease from murine norovirus 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-06 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 50.920, 70.140, 192.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.032 - 1.578 |
| R-factor | 0.1849 |
| Rwork | 0.184 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1WQS 2fyq AND 2IPH |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.980 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.030 | 1.620 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.040 | 0.550 |
| Number of reflections | 44988 | |
| <I/σ(I)> | 29.8 | 3.2 |
| Completeness [%] | 94.2 | 65.3 |
| Redundancy | 12.4 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M KSCN,0.1 M BIS-TRIS PROPANE PH 7.5, 20% W/V POLY-ETHYLENE GLYCOL (PEG) 3350 |
