1CR6
CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CPU INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-08-30 |
| Detector | OTHER |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 151.900, 143.000, 60.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.201 * |
| Rwork | 0.201 |
| R-free | 0.31200 |
| RMSD bond length | 0.013 * |
| RMSD bond angle | 27.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.096 | 0.345 |
| Total number of observations | 73807 * | |
| Number of reflections | 24877 | |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 80.1 * | 42.8 * |
| Redundancy | 2.9 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | 298 | ammonium sulfate, MES, ethanol, dithiothreitol, CPU (N-cyclohexyl-N'-(3-phenyl)propyl urea), pH 6.0, VAPOR DIFFUSION, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | dithiothreitol | 1.5 (mM) | |
| 3 | 1 | drop | sodium phosphate | 50 (mM) | |
| 4 | 1 | drop | ammonium sulfate | 0.72 (M) | |
| 5 | 1 | drop | MES | 45 (mM) | |
| 6 | 1 | drop | ethanol | 0.07 (%(v/v)) | |
| 7 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
| 8 | 1 | reservoir | MES | 100 (mM) |
