1T41
Crystal structure of human aldose reductase complexed with NADP and IDD552
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 300 |
Detector technology | CCD |
Collection date | 2002-12-01 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.90042 |
Spacegroup name | P 1 |
Unit cell lengths | 47.057, 47.525, 40.028 |
Unit cell angles | 67.32, 76.79, 75.82 |
Refinement procedure
Resolution | 10.000 - 1.050 |
R-factor | 0.1084 |
Rwork | 0.108 |
R-free | 0.13330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ALDOSE REDUCTASE HOLOENZYME |
RMSD bond length | 0.015 |
RMSD bond angle | 0.034 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.040 |
High resolution limit [Å] | 1.000 | 1.000 |
Number of reflections | 151945 | |
<I/σ(I)> | 20.4 | 1.85 |
Completeness [%] | 91.6 | 73.7 |
Redundancy | 4.9 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 300 | PEG6000, TrisHCl Buffer, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 300K |