1O00
Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and Mg2+ showing dual NAD(H) conformations
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2001-03-01 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 141.911, 150.671, 177.133 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 * - 2.600 |
R-factor | 0.2 |
Rwork | 0.193 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cw3 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.410 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.046 | 0.126 |
Total number of observations | 271631 * | |
Number of reflections | 111139 | |
<I/σ(I)> | 14.6 | 5.1 |
Completeness [%] | 94.4 | 81.6 |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.4 | 20 * | ACES, PEG 6000, Guanidine HCl, MgCl2, DTT. Crystal soaked with NAD+ at pH 6.4 prior to data collection., VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
2 | 1 | reservoir | sodium-ACES | 100 (mM) | pH6.2-6.6 |
3 | 1 | reservoir | PEG6000MW | 15-19 (%(w/v)) | |
4 | 1 | reservoir | guanidine-HCl | 100 (mM) | |
5 | 1 | reservoir | 10 (mM) | ||
6 | 1 | reservoir | dithiothreitol | 8 (mM) | |
7 | 1 | drop | protein | 8 (mg/ml) |