5BPE
Crystal structure of EV71 3Cpro in complex with a potent and selective Inhibitor
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 | 2014-01-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 76.766, 63.271, 38.760 |
| Unit cell angles | 90.00, 116.97, 90.00 |
Refinement procedure
| Resolution | 34.210 - 2.700 |
| R-factor | 0.1679 |
| Rwork | 0.163 |
| R-free | 0.28140 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.193 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.700 |
| Number of reflections | 4147 |
| <I/σ(I)> | 8.6 |
| Completeness [%] | 88.9 |
| Redundancy | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 100mM Tris-HCl (pH 7.7), 200mM sodium citrate and 20% polyethylene glycol 3350 |
