9CYS

Toxin/immunity complex for a T6SS lipase effector from E. cloacae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	99.081, 111.739, 119.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.920 - 1.750
R-factor	0.1858
Rwork	0.183
R-free	0.21180
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.120	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.049	0.806
Rmeas	0.054	0.935
Rpim	0.028	0.938
Number of reflections	66430	3499
<I/σ(I)>	16.9	2
Completeness [%]	99.1	96.5
Redundancy	7.5	7.1
CC(1/2)	0.999	0.792

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.4 M sodium citrate, 22% PEG3350