1LWD
CRYSTAL STRUCTURE OF NADP-DEPENDENT ISOCITRATE DEHYDROGENASE FROM PORCINE HEART MITOCHONDRIA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 1999-12-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 137.860, 112.569, 66.080 |
Unit cell angles | 90.00, 97.00, 90.00 |
Refinement procedure
Resolution | 29.230 - 1.850 |
R-factor | 0.185 |
Rwork | 0.182 |
R-free | 0.21000 |
Structure solution method | MAD |
Starting model (for MR) | ISOMORPHOUS SE-MET CRYSTAL STRUCTURE |
RMSD bond length | 0.005 |
RMSD bond angle | 1.250 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.073 | 0.963 |
Total number of observations | 334110 * | |
Number of reflections | 88689 | |
<I/σ(I)> | 11.6 | 1.4 |
Completeness [%] | 95.9 | 92.7 |
Redundancy | 3.767 | 3.643 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 4 * | 20 MG/ML PROTEIN, 100 MM TRIETHANOLAMINE CHLORIDE PH 7.7, 150 MM SODIUM SULFATE, 8 MM ISOCITRATE, 4 MM MANGANESE SULFATE, 20% PEG 6000, 3% GLYCEROL, pH 7.70, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
10 | 1 | reservoir | PEG6000 | 20 (%) | |
2 | 1 | drop | TEA-Cl | 0.1 (M) | pH7.7 |
3 | 1 | drop | 0.15 (M) | ||
4 | 1 | drop | dl-isocitrate | 8 (mM) | |
5 | 1 | drop | 4 (mM) | ||
6 | 1 | drop | PEG6000 | 20 (%) | |
7 | 1 | drop | glycerol | 3 (%) | |
8 | 1 | reservoir | TEA-Cl | 0.1 (M) | pH7.7 |
9 | 1 | reservoir | 0.15 (M) |