1HQT
THE CRYSTAL STRUCTURE OF AN ALDEHYDE REDUCTASE Y50F MUTANT-NADP COMPLEX AND ITS IMPLICATIONS FOR SUBSTRATE BINDING
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-01-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.290, 70.120, 92.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.200 |
| R-factor | 0.212 * |
| Rwork | 0.212 |
| R-free | 0.29600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Ossama EI-Kabbani personal communication. |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.280 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 6.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Total number of observations | 42437 * | |
| Number of reflections | 17569 | |
| <I/σ(I)> | 11.04 | 3.43 |
| Completeness [%] | 91.3 | 92.6 |
| Redundancy | 2.5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4 * | PEG 6000, NaCl, MES, EVAPORATION, temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG6000 | 5-8 (%) | |
| 2 | 1 | drop | MES | 25 (mM) | |
| 3 | 1 | reservoir | 1-1.5 (M) | ||
| 4 | 1 | reservoir | MES | 100 (mM) | |
| 5 | 1 | drop | protein | 10 (mg/ml) | |
| 6 | 1 | drop | NADPH | 49 (mM) |
