4JNC
Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-09-18 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 80.285, 91.951, 45.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.480 - 1.960 |
| R-factor | 0.1884 |
| Rwork | 0.187 |
| R-free | 0.21920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vj5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.970 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.480 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.042 | 0.190 |
| Number of reflections | 23361 | |
| <I/σ(I)> | 33 | 6.5 |
| Completeness [%] | 98.5 | 86.66 |
| Redundancy | 3.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 25% PEG3350, 0.1 M BisTris, 0.2M NH4OAc, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
