6AUM
Crystal structure of human soluble epoxide hydrolase complexed with trans-4-[4-(3-trifluoromethoxyphenyl-l-ureido)-cyclohexyloxy]-benzoic acid.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CAMD BEAMLINE GCPCC |
Synchrotron site | CAMD |
Beamline | GCPCC |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-23 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.38079 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.713, 92.713, 243.736 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.890 - 2.950 |
R-factor | 0.19616 |
Rwork | 0.193 |
R-free | 0.25460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s8o |
RMSD bond length | 0.009 |
RMSD bond angle | 1.407 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.060 |
High resolution limit [Å] | 2.950 | 2.950 |
Number of reflections | 13636 | 1296 |
<I/σ(I)> | 9.8 | 1.6 |
Completeness [%] | 98.7 | 97.7 |
Redundancy | 2.8 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 277 | 30% PEG 3350, 0-10% sucrose |