6TE4

Structural insights into Pseudomonas aeruginosa Type six secretion system exported effector 8: Tse8 in complex with a peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-17
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	66.440, 73.611, 77.668
Unit cell angles	97.97, 114.95, 104.51

Refinement procedure

Resolution	56.632 - 2.290
R-factor	0.2471
Rwork	0.246
R-free	0.27250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m22
RMSD bond length	0.003
RMSD bond angle	0.533
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.632	2.320
High resolution limit [Å]	2.290	2.290
Rmerge	0.187	0.732
Rmeas	0.223	0.873
Rpim	0.120
Number of reflections	53333	2646
<I/σ(I)>	6.96	2.25
Completeness [%]	94.8	90.26
Redundancy	3.4	3.4
CC(1/2)	0.979	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.6 M magnesium sulfate heptahydrate, 0.1 M MES buffer pH 6.5