2PEV
Complex of Aldose Reductase with NADP+ and simaltaneously bound competetive inhibitors Fidarestat and IDD594. Concentration of Fidarestat in soaking solution exceeds concentration of IDD594.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-01-01 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.247, 66.667, 47.226 |
Unit cell angles | 90.00, 92.27, 90.00 |
Refinement procedure
Resolution | 50.000 - 0.900 |
R-factor | 0.0884 |
Rwork | 0.088 |
R-free | 0.10070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1us0 |
RMSD bond length | 0.015 |
RMSD bond angle | 0.034 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 0.930 |
High resolution limit [Å] | 0.900 | 0.900 |
Rmerge | 0.089 | 0.180 |
Number of reflections | 216325 | |
<I/σ(I)> | 85.92 | 4.03 |
Completeness [%] | 96.2 | 93.06 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 297 | micro-seeding, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K |