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 |