3WK9
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 90 |
Detector technology | CCD |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.489, 92.489, 245.217 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.050 - 2.200 |
R-factor | 0.20504 |
Rwork | 0.203 |
R-free | 0.25208 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 2.138 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.050 | 2.257 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 30670 | |
Completeness [%] | 99.6 | 99.87 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1M Potassium phosphate, 0.2M Ammonium dihydrogen phosphate, 25%w/v PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |