1MJ3
Crystal Structure Analysis of rat enoyl-CoA hydratase in complex with hexadienoyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-01 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.877, 95.198, 249.429 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.800 - 2.100 |
| R-factor | 0.1752 |
| Rwork | 0.172 |
| R-free | 0.22900 * |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.020 * |
| RMSD bond angle | 3.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | FFT |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.079 * | 0.433 * |
| Number of reflections | 97058 * | |
| Completeness [%] | 90.1 * | 78.5 |
| Redundancy | 4.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 22 * | ammonium sulfate, DTT, EDTA, n-octanol, MES, pH 6.5, VAPOR DIFFUSION, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.100 (mM) | |
| 2 | 1 | drop | HD-CoA | 1 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 2.4 (M) | |
| 4 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | EDTA | 1 (mM) | |
| 6 | 1 | reservoir | n-octanol | 5 (%) | |
| 7 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
