5ALN
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 | 92.565, 92.565, 244.558 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.090 - 2.000 |
R-factor | 0.1844 |
Rwork | 0.182 |
R-free | 0.22290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ahx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.100 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.550 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.130 | 1.310 |
Number of reflections | 42904 | |
<I/σ(I)> | 15.5 | 2.1 |
Completeness [%] | 99.6 | 98.7 |
Redundancy | 11.2 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |