6ZO5

Fusidic acid binding to the TM1/TM2 groove of AcrB-G619P_G621P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	146.234, 159.703, 245.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.380 - 2.500
R-factor	0.2274
Rwork	0.226
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jmn
RMSD bond length	0.002
RMSD bond angle	1.169
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.380	49.370	2.540
High resolution limit [Å]	2.500	13.690	2.500
Rmerge	0.173	0.042	2.075
Rmeas	0.188	0.049	2.246
Rpim	0.072	0.023	0.856
Number of reflections	198321	1345	9733
<I/σ(I)>	9.6		1
Completeness [%]	100.0	98.1	100
Redundancy	6.7	6.1	6.8
CC(1/2)	0.972	0.956	0.405

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	291	0.05M ADA, PH 6.6, 0.15-0.25M AMMONIUM SULFATE, 5% GLYCEROL, 8-9% PEG4000, 0.001M ERYTHROMYCIN, 0.001M FUSIDIC ACID, 0.001M LINEZOLID, 0.001M OXACILLIN