1EL3
HUMAN ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 273 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-01-09 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.930, 67.210, 47.650 |
| Unit cell angles | 90.00, 92.50, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.700 |
| R-factor | 0.165 |
| Rwork | 0.165 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | ALDOSE REDUCTASE NATIVE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 14.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.047 | 0.170 |
| Number of reflections | 33072 | |
| <I/σ(I)> | 12 | 5.4 |
| Completeness [%] | 95.5 | 80 |
| Redundancy | 1.5 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 15 MG/ML AR, 5% PEG 6000, 50 MM AMMONIUM CITRATE PH 5.0 (DROP), 20% PEG 6000, 120 MM AMMONIUM CITRATE PH 5.0 (RESERVOIR), VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | ammonium citrate | 50 (mM) | |
| 2 | 1 | drop | protein | 15 (mg/ml) | |
| 3 | 1 | drop | NADP+ | ||
| 4 | 1 | drop | PEG6000 | 5 (%) | |
| 5 | 1 | reservoir | ammonium citrate | 120 (mM) | |
| 6 | 1 | reservoir | PEG6000 | 20 (%) |
