1NZX
Human mitochondrial aldehyde dehydrogenase complexed with NAD+ in the presence of low Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-09-02 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 141.310, 151.099, 176.952 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 2.450 |
| R-factor | 0.21 |
| Rwork | 0.209 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cw3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| 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] | 20.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.085 | 0.333 |
| Total number of observations | 546014 * | |
| Number of reflections | 134679 | |
| <I/σ(I)> | 12 | 3 |
| Completeness [%] | 96.6 | 77.4 |
| Redundancy | 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 at decreasing concentrations of Mg2+ and then with NAD+ and 0 Mg2+ prior to data collection. , pH 6.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium-ACES | 100 (mM) | pH6.2-6.6 |
| 2 | 1 | reservoir | PEG6000MW | 15-19 (%(w/v)) | |
| 3 | 1 | reservoir | guanidine-HCl | 100 (mM) | |
| 4 | 1 | reservoir | 10 (mM) | ||
| 5 | 1 | reservoir | dithiothreitol | 8 (mM) | |
| 6 | 1 | drop | protein | 8 (mg/ml) |
