3RX3
Crystal Structure of Human Aldose Reductase Complexed with Sulindac
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-06 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.153, 66.726, 49.319 |
Unit cell angles | 90.00, 92.10, 90.00 |
Refinement procedure
Resolution | 24.050 - 1.900 |
R-factor | 0.1529 |
Rwork | 0.150 |
R-free | 0.20070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1us0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.130 |
Data reduction software | CrysalisPro |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.050 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 23833 | |
Completeness [%] | 98.6 | 98.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 50 mM ammonium citrate, pH5.0, 7.5% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |