6SKW

Crystal structure of the Legionella pneumophila type II secretion system substrate NttE

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	120.870, 120.870, 104.390
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	104.676 - 2.200
Rwork	0.187
R-free	0.21050
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.698
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.680	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.071	0.423
Rmeas	0.090	0.460
Rpim	0.024	0.121
Number of reflections	45011	3292
<I/σ(I)>	25.1	7.2
Completeness [%]	99.9	99.5
Redundancy	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	40% (v/v) ethylene glycol, 20% (w/v) polyethylene glycol 8000, 50 mM imidazole, 50 mM 2-(N-morpholine)ethanesulfonic acid pH 6.5, 300 mM magnesium chloride, 300 mM calcium chloride