6W5L
2.1 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7g
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00000 |
Spacegroup name | P 1 |
Unit cell lengths | 37.435, 37.859, 115.535 |
Unit cell angles | 91.65, 96.44, 95.44 |
Refinement procedure
Resolution | 36.210 - 2.100 |
R-factor | 0.2068 |
Rwork | 0.204 |
R-free | 0.26680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ur9 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (dev_3342) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.240 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.095 | 0.714 |
Total number of observations | 124871 | 9827 |
Number of reflections | 35582 | 2858 |
<I/σ(I)> | 6.9 | 1.8 |
Completeness [%] | 97.2 | 96.6 |
Redundancy | 3.5 | 3.4 |
CC(1/2) | 0.996 | 0.856 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 25% (w/v) PEG 3350, 0.1M Tris, 200 mM ammonium acetate |