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 |