7AKZ

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	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	80
Detector technology	PIXEL
Collection date	2017-06-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	H 3 2
Unit cell lengths	86.059, 86.059, 1049.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.990 - 3.200
R-factor	0.2729
Rwork	0.271
R-free	0.31840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d5k
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.198	1.710
Number of reflections	195912	11999
<I/σ(I)>	7.59
Completeness [%]	98.1
Redundancy	6.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	PEG 400, sodium citrate, sodium chloride, magnesium chloride.