5AM3
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 A200-CU |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.600, 92.600, 244.540 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.990 - 2.200 |
R-factor | 0.2008 |
Rwork | 0.199 |
R-free | 0.23630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ahx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.180 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | BUSTER (2.9.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.620 | 2.560 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.100 | 0.450 |
Number of reflections | 22359 | |
<I/σ(I)> | 25.4 | 6.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 20.4 | 21 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |