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3WJ4

Crystal structure of PPARgamma ligand binding domain in complex with tributyltin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-6A
Synchrotron sitePhoton Factory
BeamlineBL-6A
Temperature [K]100
Detector technologyCCD
Collection date2009-05-12
DetectorADSC QUANTUM 4r
Wavelength(s)1.000
Spacegroup nameP 1 21 1
Unit cell lengths56.338, 88.286, 57.509
Unit cell angles90.00, 90.68, 90.00
Refinement procedure
Resolution36.438 - 1.950
R-factor0.19641
Rwork0.194
R-free0.24122
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.017
RMSD bond angle1.627
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.980
High resolution limit [Å]1.9501.950
Number of reflections41059
Completeness [%]100.0100
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.5277100mM Tris-HCl pH 8.5, 160mM CH3COONH4, 19-23% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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