5ALW
ligand complex structure of soluble epoxide hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | RIGAKU SATURN A200 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 92.546, 92.546, 245.135 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 80.150 - 2.200 |
| R-factor | 0.1952 |
| Rwork | 0.192 |
| R-free | 0.24630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ahx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.150 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 | 0.710 |
| Number of reflections | 31720 | |
| <I/σ(I)> | 25.8 | 3.9 |
| Completeness [%] | 98.6 | 96.5 |
| Redundancy | 11.5 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
