4HAI
Crystal structure of human soluble epoxide hydrolase complexed with N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.320, 92.320, 243.982 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 79.950 - 2.550 |
R-factor | 0.18281 |
Rwork | 0.180 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s8o |
RMSD bond length | 0.009 |
RMSD bond angle | 1.397 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 79.950 | 2.680 |
High resolution limit [Å] | 2.550 | 2.550 |
Number of reflections | 20842 | |
<I/σ(I)> | 18 | 1.8 |
Completeness [%] | 99.2 | 95.9 |
Redundancy | 6.5 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 30% PEG 3350, 0-10% sucrose , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |