4Y2J
Structure of soluble epoxide hydrolase in complex with N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-phenylethanamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2007-05-31 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.761, 92.761, 244.017 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.330 - 2.150 |
R-factor | 0.19582 |
Rwork | 0.193 |
R-free | 0.24834 |
RMSD bond length | 0.018 |
RMSD bond angle | 2.074 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.330 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.372 | |
Number of reflections | 34505 | |
<I/σ(I)> | 25.4 | 2.4 |
Completeness [%] | 99.1 | 99.9 |
Redundancy | 7.2 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Potassium phosphate, Ammonium dihydrogen phosphate, PEG3350 |