4OD0
Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea
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 | 2011-11-21 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.38079 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 92.136, 92.136, 243.354 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.920 |
| R-factor | 0.19617 |
| Rwork | 0.193 |
| R-free | 0.25202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s8o |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.522 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.020 |
| High resolution limit [Å] | 2.920 | 2.920 |
| Number of reflections | 14096 | |
| <I/σ(I)> | 15.6 | 1.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 30% PEG3350, 0-10% sucrose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
