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 |