3ANS
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Detector technology | CCD |
| Collection date | 2008-07-17 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.630, 80.350, 88.690 |
| Unit cell angles | 90.00, 126.20, 90.00 |
Refinement procedure
| Resolution | 31.210 - 1.980 |
| R-factor | 0.2206 |
| Rwork | 0.219 |
| R-free | 0.25960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vj5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.242 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK (8.0SSI) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.180 | 40.180 | 2.050 |
| High resolution limit [Å] | 1.980 | 4.260 | 1.980 |
| Rmerge | 0.045 | 0.034 | 0.147 |
| Total number of observations | 17710 | 18952 | |
| Number of reflections | 50573 | ||
| <I/σ(I)> | 16.8 | 36.7 | 5.8 |
| Completeness [%] | 98.7 | 92.9 | 98.8 |
| Redundancy | 3.77 | 3.53 | 3.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 277 | 20%(w/v) PEG 8000, 200mM sodium iodide, pH 7.3, vapor diffusion, sitting drop, temperature 277K |
