7B8T

Levofloxacin bound structure of bacterial efflux pump.

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	2015-06-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978570
Spacegroup name	P 21 21 21
Unit cell lengths	108.652, 145.488, 175.156
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.748 - 2.700
R-factor	0.2222
Rwork	0.220
R-free	0.26930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5en5
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.748	2.797
High resolution limit [Å]	2.700	2.700
Number of reflections	75440	7570
<I/σ(I)>	9.17	0.91
Completeness [%]	97.9	99.53
Redundancy	6.6
CC(1/2)	0.997	0.502

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M MES pH 6.5, 0.21 M NaCl, 11.5% PEG4000