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)) |