5HXF
Crystal structure of 3C protease from a mild Human enterovirus 71 in complex with rupintrivir
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.209, 64.781, 38.323 |
| Unit cell angles | 90.00, 113.06, 90.00 |
Refinement procedure
| Resolution | 23.224 - 1.390 |
| R-factor | 0.1758 |
| Rwork | 0.174 |
| R-free | 0.19910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3osy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.191 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-2000 |
| Refinement software | PHENIX ((dev_2257: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.390 |
| Number of reflections | 32549 |
| <I/σ(I)> | 22.38 |
| Completeness [%] | 99.0 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 4.5 | 291 | 28% PEG 8000, Acetate PH4.5, 0.2M Li2SO4 |
