4J03
Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant
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 | 2012-07-23 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.38079 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 92.507, 92.507, 243.811 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.510 - 2.920 |
| R-factor | 0.191 |
| Rwork | 0.188 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s8o |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.261 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.020 |
| High resolution limit [Å] | 2.920 | 2.920 |
| Number of reflections | 12790 | |
| <I/σ(I)> | 14.1 | 2.3 |
| Completeness [%] | 89.8 | 93 |
| Redundancy | 4.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 30% PEG 3350, 0-10% sucrose, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
