4MT1

Crystal Structure of the Neisseria gonorrhoeae MtrD Inner Membrane Multidrug Efflux Pump

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	H 3 2
Unit cell lengths	152.995, 152.995, 360.746
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.798 - 3.540
R-factor	0.2824
Rwork	0.280
R-free	0.33310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.794
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.680
High resolution limit [Å]	3.540	7.360	3.540
Rmerge	0.077	0.044	0.499
Number of reflections	18421
<I/σ(I)>	7.1
Completeness [%]	90.8	82.8	92.9
Redundancy	2.9	2.8	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	298	30% PEG400, 0.05M CaCl2, 0.1M Bicine, pH 8.5, VAPOR DIFFUSION, temperature 298K