4KSD

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	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-10
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	87.100, 102.470, 312.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.071 - 4.100
R-factor	0.3239
Rwork	0.323
R-free	0.34450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.072
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]	61.071
High resolution limit [Å]	4.100
Number of reflections	22783
Completeness [%]	95.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M Hepes (pH 7-8) and 22-27% (w/v) PEG 600, VAPOR DIFFUSION, SITTING DROP, temperature 277K