3G02
Structure of enantioselective mutant of epoxide hydrolase from Aspergillus niger generated by directed evolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-31 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93300 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.866, 89.675, 75.344 |
Unit cell angles | 90.00, 104.79, 90.00 |
Refinement procedure
Resolution | 28.910 - 1.500 |
R-factor | 0.184 |
Rwork | 0.183 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qo7 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.007 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.540 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.027 | 0.128 |
Number of reflections | 120696 | |
<I/σ(I)> | 15.8 | 7.2 |
Completeness [%] | 95.5 | 98.2 |
Redundancy | 1.7 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 20% PEG 6000, 0.1M MES, pH 6.0, 0.1M unbuffered sodium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |