5ALS
ligand complex structure of soluble epoxide hydrolase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 93.724, 93.724, 244.922 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 81.170 - 2.570 |
R-factor | 0.2032 |
Rwork | 0.203 |
R-free | 0.21390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ahx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.280 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.170 | 2.710 |
High resolution limit [Å] | 2.570 | 2.570 |
Rmerge | 0.080 | 0.700 |
Number of reflections | 21109 | |
<I/σ(I)> | 22 | 3.2 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 9.5 | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |