2I6W

Crystal structure of the multidrug efflux transporter AcrB

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]	108
Detector technology	CCD
Collection date	2006-01-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99186
Spacegroup name	H 3 2
Unit cell lengths	146.300, 146.300, 514.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.120 - 3.100
R-factor	0.305
Rwork	0.305
R-free	0.34100
Structure solution method	MIR
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.069
Number of reflections	48061
<I/σ(I)>	16.2	1.1
Completeness [%]	99.9	100
Redundancy	9.1	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	0.1 M HEPES pH 7.5, 0.1 M Sodium chloride, 0.1 M Lithium sulfate, 12% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K