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 |
