4MT0

Crystal Structure of the Open State of the Neisseria gonorrhoeae MtrE Outer Membrane Channel

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 63 2 2
Unit cell lengths	94.096, 94.096, 392.368
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.182 - 3.292
R-factor	0.2824
Rwork	0.281
R-free	0.31690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.612
Data reduction software	DPS
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	3.410
High resolution limit [Å]	3.290	7.080	3.290
Rmerge	0.114	0.035	0.429
Number of reflections	27283
<I/σ(I)>	6.3
Completeness [%]	92.3	85.8	94.7
Redundancy	2.1	2.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	298	30% PEG400, 0.05M Mg(Ac)2, 0.1M NaAc, pH 5.0, VAPOR DIFFUSION, temperature 298K