6I5G
X-ray structure of human soluble Epoxide Hydrolase C-terminal Domain (hsEH CTD)in complex with 15d-PGJ2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-15 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97949 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 89.490, 79.992, 104.544 |
Unit cell angles | 90.00, 96.78, 90.00 |
Refinement procedure
Resolution | 71.830 - 2.000 |
R-factor | 0.1743 |
Rwork | 0.172 |
R-free | 0.21699 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ans |
RMSD bond length | 0.017 |
RMSD bond angle | 2.062 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.830 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.096 | 0.702 |
Rmeas | 0.121 | 0.790 |
Rpim | 0.053 | 0.354 |
Number of reflections | 48933 | |
<I/σ(I)> | 10.2 | |
Completeness [%] | 99.2 | |
Redundancy | 4.99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277.15 | 22.5% PEG 3350, 0.2 M malic acid |