6IIA

MexB in complex with LMNG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9
Spacegroup name	P 1
Unit cell lengths	122.949, 134.343, 149.692
Unit cell angles	87.53, 70.20, 89.02

Refinement procedure

Resolution	140.730 - 2.910
R-factor	0.2361
Rwork	0.234
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w9i
RMSD bond length	0.013
RMSD bond angle	1.662
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	140.730	100.000	2.950
High resolution limit [Å]	2.900	7.870	2.900
Rmerge	0.057	0.012	0.753
Rmeas	0.066	0.014	0.873
Rpim	0.033	0.007	0.441
Number of reflections	199569	9540	10011
<I/σ(I)>	12.6
Completeness [%]	98.9	94.6	98.7
Redundancy	3.9	3.6	3.9
CC(1/2)		0.999	0.786

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	50mM Na Acetate-HCl pH5.0, 300mM NaCl, 25% PEG400