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4O8F

Crystal Structure of the complex between PPARgamma mutant R357A and rosiglitazone

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyPIXEL
Collection date2013-12-06
DetectorPSI PILATUS 6M
Wavelength(s)0.976
Spacegroup nameC 2 2 21
Unit cell lengths85.700, 87.100, 163.800
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution61.088 - 2.600
R-factor0.2405
Rwork0.234
R-free0.29710
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2prg
RMSD bond length0.011
RMSD bond angle1.602
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwarePHENIX (1.8.4_1496)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]81.9202.720
High resolution limit [Å]2.6002.600
Rmerge0.0610.435
Number of reflections18994
<I/σ(I)>9.31.3
Completeness [%]98.897.5
Redundancy3.83.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.5293MORPHEUS A5: 10% w/v PEG 20 000, 20% v/v PEG MME 550, 0.1 M MOPS/HEPES-Na, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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