9W2O
Crystal Structure of Norovirus 3C-like Protease in Complex with a Broad-spectrum Inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-04-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 122.551, 122.551, 50.829 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.840 - 1.760 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.22190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.215 |
| Data reduction software | autoPX (beta4) |
| Data scaling software | pointless (9.0.005) |
| Phasing software | PHASER (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.840 | 1.800 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 22948 | 1657 |
| <I/σ(I)> | 33.05 | |
| Completeness [%] | 98.2 | |
| Redundancy | 36.88 | |
| CC(1/2) | 0.999 | 0.573 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 17.5%(w/v) PEG 8000, 0.1 M NaAc, pH 4.6, 0.2 M LiSO4 |
