9DF5
Human norovirus GII.3 protease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-29 |
Detector | DECTRIS PILATUS3 S 2M |
Wavelength(s) | 1.00002 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.525, 78.525, 105.686 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.030 - 2.800 |
R-factor | 0.2539 |
Rwork | 0.252 |
R-free | 0.29650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.572 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.21rc1_5156) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.030 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.081 | 0.504 |
Rmeas | 0.085 | 0.528 |
Rpim | 0.028 | 0.157 |
Number of reflections | 8595 | 415 |
<I/σ(I)> | 18.3 | 2.1 |
Completeness [%] | 99.8 | 100 |
Redundancy | 10.5 | 11.2 |
CC(1/2) | 0.998 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1-0.35M KSCN, 15-25% PEG 3,350, 0.1M Bis-Tris Propane |