6ZOD

Fusidic acid binding to the allosteric deep transmembrane domain binding pocket, TM7/TM8 groove, and TM1/TM2 groove of the fully induced AcrB T protomer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-01
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	145.985, 166.129, 243.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.120 - 2.850
R-factor	0.2069
Rwork	0.205
R-free	0.24740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jmn
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	PHENIX (3707)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.120	49.120	2.900
High resolution limit [Å]	2.850	15.610	2.850
Rmerge	0.141	0.042	1.778
Rmeas	0.157	0.049	1.991
Rpim	0.069	0.025	0.877
Total number of observations	635542
Number of reflections	134919	859	6748
<I/σ(I)>	8.1		1.2
Completeness [%]	97.7	90.4	99.2
Redundancy	4.7	4.5	4.6
CC(1/2)	0.996	0.997	0.518

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	291	0.05M ADA, PH 6.9, 0.15-0.25M AMMONIUM REMARK 280 SULFATE, 5% GLYCEROL, 5-10% PEG4000, 0.001 M FUSIDIC ACID, 0.001M OXACILLIN, 0.001M ERYTHROMYCIN, 0.001M LINEZOLID