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8HHP

Crystal structure of PPARg-LBD complexed with three partial agonists, one nTZDpa and two LT175

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron sitePhoton Factory
BeamlineAR-NW12A
Temperature [K]100
Detector technologyCCD
Collection date2017-05-11
DetectorADSC QUANTUM 270
Wavelength(s)1.0
Spacegroup nameP 43 21 2
Unit cell lengths60.500, 60.500, 162.260
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.500 - 2.450
R-factor0.2211
Rwork0.214
R-free0.28640
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2vv3
RMSD bond length0.009
RMSD bond angle1.254
Data reduction softwareiMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.17.1_3660)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.5002.570
High resolution limit [Å]2.4502.450
Number of reflections1159911599
<I/σ(I)>18
Completeness [%]99.2
Redundancy6.4
CC(1/2)0.9980.948
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.72930.1 M Tris-HCl pH 7.7, 0.75 M sodium citrate

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