3ANT
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 | 2009-03-04 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.384, 80.296, 88.867 |
| Unit cell angles | 90.00, 125.88, 90.00 |
Refinement procedure
| Resolution | 35.070 - 2.400 |
| R-factor | 0.2014 |
| Rwork | 0.199 |
| R-free | 0.23750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ans |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.204 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.059 | 0.033 | 0.179 |
| Number of reflections | 28466 | ||
| <I/σ(I)> | 16.4 | ||
| Completeness [%] | 99.2 | 97.7 | 94.9 |
| Redundancy | 3.7 | 3.6 | 3.4 |
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 |
