4Y2Y
Structure of soluble epoxide hydrolase in complex with 2-(2-fluorophenyl)-N-[(5-methyl-2-thienyl)methyl]ethanamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2007-05-31 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.673, 92.673, 243.751 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 80.260 - 2.300 |
R-factor | 0.20596 |
Rwork | 0.203 |
R-free | 0.26481 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s8o |
RMSD bond length | 0.014 |
RMSD bond angle | 1.881 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 27394 | |
<I/σ(I)> | 4.2 | 1.5 |
Completeness [%] | 96.3 | 95.7 |
Redundancy | 7.2 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Potassium phosphate, Ammonium dihydrogen phosphate, PEG3350 |