1QI1
Ternary Complex of an NADP Dependent Aldehyde Dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-01-15 |
| Detector | ENRAF-NONIUS |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 158.500, 158.500, 282.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 3.000 |
| R-factor | 0.242 |
| Rwork | 0.242 |
| R-free | 0.28300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2euh |
| RMSD bond length | 0.009 |
| RMSD bond angle | 25.190 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.097 | 0.315 |
| Number of reflections | 65980 | |
| <I/σ(I)> | 7.3 | 2 |
| Completeness [%] | 80.3 | 78.2 |
| Redundancy | 1.5 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.4 * | 20 * | AMMONIUM SULFATE 2.0 M , 40 MG/ML PROTEIN, pH 5.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium phosphate | 12.5 (mM) | |
| 2 | 1 | drop | dithiothreitol | 0.25 (mM) | |
| 3 | 1 | drop | protein | 10 (mg/ml) | |
| 4 | 1 | drop | NADP | 4 (mM) | |
| 5 | 1 | drop | ammonium sulfate | 1.5 (M) |
