3G5E
Human aldose reductase complexed with IDD 740 inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.016, 67.204, 47.861 |
| Unit cell angles | 90.00, 92.58, 90.00 |
Refinement procedure
| Resolution | 13.940 - 1.800 |
| R-factor | 0.14597 |
| Rwork | 0.144 |
| R-free | 0.18342 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.416 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | REFMAC (5.5.0035) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.940 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.052 | 0.180 |
| Number of reflections | 28312 | |
| <I/σ(I)> | 11.29 | 5.4 |
| Completeness [%] | 96.4 | 91.4 |
| Redundancy | 1.5 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 15MG/ML AR, 5% PEG 6000, 50MM AMMONIUM CITRATE PH 5.0 (DROP), 20% PEG 6000, 120MM AMMONIUM CITRATE PH 5.0 (RESERVOIR), VAPOR DIFFUSION, HANGING DROP, temperature 277K |
