1AE4
ALDEHYDE REDUCTASE COMPLEXED WITH COFACTOR AND INHIBITOR, ALPHA CARBON ATOMS ONLY
Experimental procedure
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-08-01 |
| Detector | SIEMENS |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 67.800, 67.800, 245.280 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.400 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| Structure solution method | DIFFERENCE-FOURIER |
| Starting model (for MR) | PORCINE ALDEHYDE REDUCTASE IN COMPLEX WITH COENZYME |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.400 |
| Data reduction software | XENGEN |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 15.000 |
| High resolution limit [Å] | 2.400 |
| Rmerge | 0.109 |
| Total number of observations | 91887 * |
| Number of reflections | 13319 |
| <I/σ(I)> | 21.2 |
| Completeness [%] | 93.0 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.9 | BUFFERED AMMONIUM SULFATE SOLUTION, PH 8.9 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 18 (mg/ml) | |
| 2 | 1 | reservoir | 2-mercaptoethanol | 5 (mM) | |
| 3 | 1 | reservoir | Tris-HCl | 5 (mM) | |
| 4 | 1 | reservoir | NADPH | 49 (mM) |
