5CW2
Crystal structure of Epoxide Hydrolase A from Mycobacterium thermoresistibile
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-19 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9752 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.800, 105.010, 108.950 |
| Unit cell angles | 90.00, 90.11, 90.00 |
Refinement procedure
| Resolution | 47.819 - 2.000 |
| R-factor | 0.2129 |
| Rwork | 0.209 |
| R-free | 0.25080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.500 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.820 | 2.071 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.115 | 0.522 |
| Number of reflections | 93380 | |
| <I/σ(I)> | 7.68 | 2.42 |
| Completeness [%] | 99.5 | 99.66 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M BisTris pH 7.5, 2.15 M (NH4)2SO4, 4.5% (v/v) PEG 400, 1-3% (v/v) 2,3-butanediol |
