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 |