4KSB

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
Collection date	2012-12-07
Detector	PSI PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	87.400, 138.650, 185.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.565 - 3.800
R-factor	0.3247
Rwork	0.323
R-free	0.35660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.869
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]	92.592
High resolution limit [Å]	3.800
Number of reflections	22815
Completeness [%]	95.3

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