4INZ
The crystal structure of M145A mutant of an epoxide hydrolase from Bacillus megaterium
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 | 2012-12-14 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.829, 77.651, 120.034 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.941 - 1.700 |
R-factor | 0.1602 |
Rwork | 0.158 |
R-free | 0.20910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.939 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.7_637)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.073 | 0.050 | 0.439 |
Number of reflections | 416525 | ||
<I/σ(I)> | 16.092 | ||
Completeness [%] | 98.2 | 88.8 | 99.1 |
Redundancy | 6.4 | 5.4 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | 0.1M Tris, 34% PEG 3000, 0.2M Lithium sulfate , pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |