4Q9H

P-glycoprotein at 3.4 A resolution

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	2013-12-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	87.950, 139.180, 186.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.335 - 3.400
R-factor	0.262
Rwork	0.260
R-free	0.29090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.026
Data scaling software	SCALA (3.3.20)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.335	77.335	3.580
High resolution limit [Å]	3.400	10.750	3.400
Rmerge		0.055	0.730
Rmeas	0.095
Rpim	0.044	0.032	0.383
Total number of observations	150254	3487	21342
Number of reflections	31984
<I/σ(I)>	8.1	20.8	1.8
Completeness [%]	99.4	82.4	100
Redundancy	4.7	3.8	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	277.15	PEG 600, Li2O4S, HEPES, EDTA, pH 7, vapor diffusion, temperature 277.15K