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 |