1OYD

Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Spacegroup name	H 3 2
Unit cell lengths	144.767, 144.767, 517.891
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.600 - 3.800
R-factor	0.287
Rwork	0.284
R-free	0.33800
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.610
High resolution limit [Å]	3.800 *	3.800 *
Rmerge	0.084 *	0.538 *
Total number of observations	212408 *
Number of reflections	35008 *
Completeness [%]	98.0 *	99.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	5.6 *	25 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	35 (mg/ml)
2	1	drop	Tris	20 (mM)	pH8.0
3	1	drop	DDM	0.1 (%)
4	1	drop	dithiothreitol	20 (mM)
5	1	reservoir	PEG4000	7 (%)
6	1	reservoir	sodium citrate	20-40 (mM)	pH5.6 or 6.5
7	1	reservoir		20-50 (mM)
8	1	reservoir	glycerol	10 (%)