4R1I

Structure and Function of Neisseria gonorrhoeae MtrF Illuminates a Class of Antimetabolite Efflux Pumps

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	P 65
Unit cell lengths	120.766, 120.766, 233.897
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.740 - 3.959
R-factor	0.3124
Rwork	0.311
R-free	0.33830
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.000
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	4.110
High resolution limit [Å]	3.950	8.210	3.950
Rmerge	0.071	0.050	0.921
Number of reflections	16468
<I/σ(I)>	7.4
Completeness [%]	95.1	95.2	84.5
Redundancy	2.5	2.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	30% PEG400, 0.05M Mg(Ac)2, 0.1M NaAc(5.0), and 3% glycerol, pH 7.5, vapor diffusion, temperature 298K