7UBZ

Chymotrypsin digested 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	2020-11-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	87.172, 120.493, 122.804
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.760 - 1.750
R-factor	0.1666
Rwork	0.164
R-free	0.18820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7UC0
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	REFMAC
Refinement software	PHENIX (1.19.1-4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.880	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.119	2.725
Rmeas	0.121	2.772
Rpim	0.020	0.497
Total number of observations	4829779
Number of reflections	130201	5526
<I/σ(I)>	23.2	2.3
Completeness [%]	99.1	85.9
Redundancy	37.1	29.3
CC(1/2)	1.000	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.25 M sodium citrate, 22% PEG3350