5XMD
Crystal structure of epoxide hydrolase VrEH1 from Vigna radiata
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 101.691, 51.892, 124.294 |
| Unit cell angles | 90.00, 94.27, 90.00 |
Refinement procedure
| Resolution | 41.316 - 2.000 |
| R-factor | 0.1817 |
| Rwork | 0.179 |
| R-free | 0.22260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cjp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.047 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.721 | |
| Number of reflections | 82570 | |
| <I/σ(I)> | 15.8 | |
| Completeness [%] | 93.7 | |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG 3350, 0.1M Hepes pH 6.5-7.0, 0.2M NaCl |
