6ZRE

Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-02-08
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9786
Spacegroup name	H 3 2
Unit cell lengths	86.797, 86.797, 1046.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.630 - 2.800
Rwork	0.293
R-free	0.31750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d5k
Data reduction software	XDS
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.630	49.340	2.920
High resolution limit [Å]	2.800	9.700	2.800
Rmerge	0.017	0.034	1.489
Rmeas	0.024	0.036	1.571
Rpim		0.013	0.495
Total number of observations		8717	45921
Number of reflections	38761	1076	4588
<I/σ(I)>	15.77	45.7	1.5
Completeness [%]	99.5	98.8	99.7
Redundancy	2	8.1	10
CC(1/2)	0.998	0.998	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	sodium sulfate, lithium sulfate, PEG 400, Tris-HCl