1DCI
DIENOYL-COA ISOMERASE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-05-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 131.543, 131.543, 96.731 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 1.500 |
| R-factor | 0.176 * |
| Rwork | 0.176 |
| R-free | 0.20500 |
| Structure solution method | ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.025 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.050 | 0.400 |
| Number of reflections | 153741 | |
| <I/σ(I)> | 9.6 | 1.7 |
| Completeness [%] | 94.1 | 84.3 * |
| Redundancy | 4.1 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 * | 21 * | pH 8.75 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2.0 (mg/ml) | |
| 10 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 11 | 1 | reservoir | EDTA | 1 (mM) | |
| 12 | 1 | reservoir | sodium azide | 1 (mM) | |
| 2 | 1 | drop | potassium phosphate | 25 (mM) | |
| 3 | 1 | drop | sodium chloride | 100 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | drop | EDTA | 1 (mM) | |
| 6 | 1 | drop | sodium azide | 1 (mM) | |
| 7 | 1 | reservoir | magnesium sulphate | 1.75 (M) | |
| 8 | 1 | reservoir | Tris-hydroxymethyl-amino methane hydrochloride | 100 (mM) | |
| 9 | 1 | reservoir | ethylene glycol | 2 (%(v/v)) |
