4DX6

Transport of drugs by the multidrug transporter AcrB involves an access and a deep binding pocket that are separated by a switch-loop

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-11-12
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	145.690, 165.450, 245.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.280 - 2.900
R-factor	0.2116
Rwork	0.209
R-free	0.27030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.260
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.280	49.280	2.430
High resolution limit [Å]	2.290	6.810	2.290
Rmerge	0.290	0.043	0.043
Number of reflections	252313
<I/σ(I)>	4.09	27.12	0.13
Completeness [%]	90.8	99.5	59.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	0.05M ADA, pH 6.5 0.2M ammonium sulfate 9% PEG 4000 6% glycerol , VAPOR DIFFUSION, HANGING DROP, temperature 290K