8XCL

Character of TseP: a dual functional effector of type VI secretion system

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	44.481, 138.797, 95.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.914 - 2.270
R-factor	0.1889
Rwork	0.187
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.007
RMSD bond angle	0.871
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.100	6.720	2.400
High resolution limit [Å]	2.260	4.780	2.260
Rmerge	0.218	0.145	0.771
Rmeas	0.236	0.157	0.836
Number of reflections	25776	1829	4304
<I/σ(I)>	6.1
Completeness [%]	95.9
Redundancy	12.9
CC(1/2)	0.984	0.981	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M Sodium formate pH 7.0 ,12% w/v PEG 3350