9W3S
Crystal Structure of Coxsackievirus B5 3C 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 | 2025-06-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.875, 72.299, 73.518 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.040 - 1.950 |
| R-factor | 0.1729 |
| Rwork | 0.172 |
| R-free | 0.19690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.119 |
| 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] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 17135 | 1219 |
| <I/σ(I)> | 34.78 | 13.99 |
| Completeness [%] | 99.9 | |
| Redundancy | 12.4 | |
| CC(1/2) | 0.999 | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M Sodium thiocyanate, 20% (w/v) PEG 3350 |
