3G5U

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-16
Detector	MARRESEARCH
Wavelength(s)	1.00695, 1.00923
Spacegroup name	P 21 21 21
Unit cell lengths	97.542, 115.426, 378.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.980 - 3.800
R-factor	0.306
Rwork	0.306
R-free	0.34700
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.900
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	3.800
Number of reflections	41131
Completeness [%]	96.1
Redundancy	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	278	17% PEG 350mme, 0.05M tris, 0.04% sodium cholate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K