9WAV
Crystal Structure of Munia coronavirus HKU13 Main Proteinase 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 PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 104.393, 104.393, 105.838 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.200 - 2.250 |
| R-factor | 0.3246 |
| Rwork | 0.323 |
| R-free | 0.34390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.403 |
| Data reduction software | XDS (20250430) |
| 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] | 47.201 | 2.380 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 723206 | 8530 |
| <I/σ(I)> | 13.85 | |
| Completeness [%] | 99.9 | |
| Redundancy | 2.612 | |
| CC(1/2) | 0.990 | 0.581 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.2 M Sodium acetate ph5.5 20% (w/v) PEG 3350 |
