1EY3
STRUCTURE OF ENOYL-COA HYDRATASE COMPLEXED WITH THE SUBSTRATE DAC-COA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 275 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-08-21 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 141.748, 145.286, 78.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.300 |
| R-factor | 0.18 * |
| Rwork | 0.181 |
| R-free | 0.22000 |
| Starting model (for MR) | 1dub |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.600 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.062 | 0.413 |
| Number of reflections | 65075 | |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 95.0 * | 77.1 |
| Redundancy | 4.9 | 1.64 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 25 * | 8% PEG 4000, 100 mM sodium acetate, 75 mM sodium phosphate, 100 mM NaCl, 3 mM sodium azide, 3.5 mM DAC-CoA, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 8 (%) | |
| 2 | 1 | reservoir | 0.1 (M) | ||
| 3 | 1 | reservoir | sodium phosphate | 75 (mM) | pH7.3 |
| 4 | 1 | drop | protein | 3.5 (mM) | |
| 5 | 1 | drop | sodium phosphate | 75 (mM) | |
| 6 | 1 | drop | 100 (mM) | ||
| 7 | 1 | drop | sodium azide | 3 (mM) | pH7.3 |
