4KSC

Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Detector	PSI PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	90.650, 138.290, 194.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	112.749 - 4.000
R-factor	0.317
Rwork	0.316
R-free	0.33770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.909
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall
Low resolution limit [Å]	112.749
High resolution limit [Å]	4.000
Number of reflections	19465
Completeness [%]	86.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	25-29.5% w/v PEG 600, 50 mM LiSO4, 10 mM EDTA, 100 mM Hepes, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K