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3RX2

Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSEALED TUBE
Source detailsOXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]100
Detector technologyCCD
Collection date2011-04-01
DetectorOXFORD ONYX CCD
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths47.187, 67.081, 49.357
Unit cell angles90.00, 91.94, 90.00
Refinement procedure
Resolution24.109 - 1.900
R-factor0.1434
Rwork0.141
R-free0.19370
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1us0
RMSD bond length0.007
RMSD bond angle1.156
Data reduction softwareCrysalisPro
Phasing softwareMOLREP
Refinement softwarePHENIX ((phenix.refine: 1.7_650))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]24.1102.000
High resolution limit [Å]1.9001.900
Number of reflections24115
Completeness [%]99.199.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP527750mM ammonium citrate, pH5.0, 7.5% PEG 6000 , VAPOR DIFFUSION, HANGING DROP, temperature 277K

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