5ALL
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 | 92.870, 92.870, 243.904 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.590 - 2.200 |
R-factor | 0.213 |
Rwork | 0.211 |
R-free | 0.25170 |
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] | 50.000 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.070 | 0.840 |
Number of reflections | 32624 | |
<I/σ(I)> | 20.4 | 2.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.3 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |