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6IZM

Crystal structure of the PPARgamma-LBD complexed with compound 1l

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E DW
Temperature [K]93
Detector technologyIMAGE PLATE
Collection date2008-04-10
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths39.012, 54.266, 66.727
Unit cell angles90.00, 92.51, 90.00
Refinement procedure
Resolution19.680 - 1.800
R-factor0.225
Rwork0.223
R-free0.24800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3v9t
RMSD bond length0.004
RMSD bond angle0.700
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNX
Refinement softwareCNX (2005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.860
High resolution limit [Å]1.8001.800
Number of reflections248872450
<I/σ(I)>25.83.56
Completeness [%]95.393.9
Redundancy8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP8.5295PEG 4000, NaSCN, Tris-HCl

221716

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