1AD3
CLASS 3 ALDEHYDE DEHYDROGENASE COMPLEX WITH NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 289 |
| Detector technology | AREA DETECTOR |
| Collection date | 1994-06 |
| Detector | SIEMENS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.950, 170.950, 47.160 |
| Unit cell angles | 90.00, 110.25, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.600 |
| R-factor | 0.177 |
| Rwork | 0.177 |
| R-free | 0.27900 |
| Structure solution method | ISIRAS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.500 * |
| Data reduction software | XENGEN (V. 2.1) |
| Data scaling software | XENGEN (V. 2.1) |
| Phasing software | ISIRAS |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.700 | |
| High resolution limit [Å] | 2.500 | 2.600 |
| Rmerge | 0.050 | 0.183 |
| Number of reflections | 25656 | |
| <I/σ(I)> | 17.444 | 2.29 |
| Completeness [%] | 80.0 | 50 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.2 | Rose, J.P., (1990) Proteins: Struct.,Funct., Genet., 8, 305. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.7 (mg/ml) | |
| 10 | 1 | reservoir | PIPES | 12.5 (mM) | |
| 11 | 1 | reservoir | PEG8000 | 2.5 (%) | |
| 2 | 1 | drop | PEG8000 | 1.5 (%(w/v)) | |
| 3 | 1 | drop | mercaptoethanol | 0.05 (%(w/v)) | |
| 4 | 1 | drop | EDTA | 0.5 (mM) | |
| 5 | 1 | drop | NAD | 0.25 (mg/ml) | |
| 6 | 1 | drop | PIPES | 12.5 (mM) | |
| 7 | 1 | reservoir | mercaptoethanol | 0.05 (%(w/v)) | |
| 8 | 1 | reservoir | EDTA | 0.5 (mM) | |
| 9 | 1 | reservoir | NAD | 0.25 (mg/ml) |
