4GHQ
Crystal structure of EV71 3C proteinase
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 | 2011-06-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97916 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.559, 64.347, 75.282 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 9.890 - 2.200 |
| R-factor | 0.1897 |
| Rwork | 0.186 |
| R-free | 0.27240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l1n |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.598 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.117 | 0.040 | 0.540 |
| Number of reflections | 8256 | ||
| <I/σ(I)> | 6.1 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 7 | 6.5 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 100mM Tris, 25% PEG4000, 0.8M lithium chloride, pH 8.5, vapor diffusion, hanging drop, temperature 289K |
