8U1V
Structure of Norovirus (Hu/GII.4/Sydney/NSW0514/2012/AU) protease in the ligand-free state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95364 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 112.827, 160.869, 95.293 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.540 - 2.790 |
| R-factor | 0.1948 |
| Rwork | 0.194 |
| R-free | 0.21440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.483 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.540 | 2.940 |
| High resolution limit [Å] | 2.790 | 2.790 |
| Rmerge | 0.156 | 1.257 |
| Rmeas | 0.184 | |
| Rpim | 0.097 | 0.777 |
| Number of reflections | 21735 | 2936 |
| <I/σ(I)> | 7.1 | 1 |
| Completeness [%] | 99.1 | 93.9 |
| Redundancy | 6.6 | 6.5 |
| CC(1/2) | 0.994 | 0.512 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 20% w/v PEG 3350, 8% Tacsimate pH 5 |
