5AKI
ligand complex structure of soluble epoxide hydrolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.876, 92.876, 243.506 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.430 - 1.810 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.22030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ahx |
RMSD bond length | 0.009 |
RMSD bond angle | 1.110 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.430 | 1.910 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.050 | 0.540 |
Number of reflections | 55932 | |
<I/σ(I)> | 34.6 | 6 |
Completeness [%] | 97.5 | 96.6 |
Redundancy | 16.7 | 17.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |