5ALO
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 CCD-A200-CU |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.866, 92.866, 245.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.420 - 2.000 |
R-factor | 0.1988 |
Rwork | 0.197 |
R-free | 0.23850 |
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] | 245.640 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.090 | 1.000 |
Number of reflections | 43151 | |
<I/σ(I)> | 26.8 | 2.6 |
Completeness [%] | 99.2 | 98.2 |
Redundancy | 11.5 | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |