4O08
Crystal structure of bacillus megaterium epoxide hydrolase in complex with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-07-06 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 108.541, 108.541, 116.843 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.830 - 1.950 |
R-factor | 0.171 |
Rwork | 0.170 |
R-free | 0.20700 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.035 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | PHENIX ((PHENIX.REFINE: 1.7_637)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.523 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 51301 | |
Completeness [%] | 99.7 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2M LI2SO4, 0.1M TRIS-HCL, 2.0M (NH4) 2SO4, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |