4U95

Coupling of remote alternating-access transport mechanisms for protons and substrates in the multidrug efflux pump AcrB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-27
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	145.910, 162.320, 245.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.993 - 2.000
R-factor	0.1963
Rwork	0.194
R-free	0.23710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dx5
RMSD bond length	0.008
RMSD bond angle	1.036
Data reduction software	XDS (Version January 10, 2014)
Data scaling software	XSCALE (Version January 10, 2014)
Phasing software	PHASER (PHENIX version 1.9 -1692)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.993	2.071
High resolution limit [Å]	2.000	2.000
Rmerge		3.320
Number of reflections	349404
<I/σ(I)>	11.04	0.5
Completeness [%]	89.4	53.12
Redundancy	7.1	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	0.05M ADA, pH 6.5, 0.2 M (NH4)2SO4, 8% PEG4000, 6% Glycerol