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3G60

Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-D
Synchrotron siteAPS
Beamline23-ID-D
Temperature [K]100
Detector technologyCCD
Collection date2008-04-20
DetectorMARRESEARCH
Wavelength(s)0.97942
Spacegroup nameP 21 21 21
Unit cell lengths96.629, 115.090, 374.204
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.990 - 4.400
R-factor0.314
Rwork0.314
R-free0.36500
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.500
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0004.670
High resolution limit [Å]4.4004.400
Number of reflections25576
Completeness [%]94.790.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.827820-23% PEG400, 0.05M TRIS, 0.04% sodium cholate, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K

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