7CG6
Vigna radiata Epoxide hydrolase mutant M263Q
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 | 2018-01-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97918 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.813, 70.813, 127.377 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.113 - 2.000 |
R-factor | 0.223 |
Rwork | 0.219 |
R-free | 0.29640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5y6y |
RMSD bond length | 0.007 |
RMSD bond angle | 1.066 |
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 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.052 | 0.856 |
Rmeas | 0.068 | |
Rpim | 0.015 | |
Number of reflections | 22019 | 1091 |
<I/σ(I)> | 46.66 | 4.32 |
Completeness [%] | 97.1 | 100 |
Redundancy | 22 | 25.3 |
CC(1/2) | 0.999 | 0.963 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.15 M Tris-HCl, pH 8.5, 35% PEG3350 |