9PW2

Taylorella equigenitalis BaDTF3 deaminase toxin DddB bound to the immunity protein

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	2023-12-13
Detector	DECTRIS EIGER2 S 16M
Wavelength(s)	0.979460
Spacegroup name	P 21 21 2
Unit cell lengths	58.399, 97.256, 41.968
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.530 - 1.610
R-factor	0.1861
Rwork	0.185
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	17.053
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.530	1.670
High resolution limit [Å]	1.610	1.610
Rmerge	0.071	1.242
Rmeas	0.077	1.380
Rpim	0.029	0.596
Number of reflections	28945	1447
<I/σ(I)>	7.1	1.4
Completeness [%]	95.4
Redundancy	7.1
CC(1/2)	0.999	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	J000828 G10_20 Hampton HR2-086 PEGRx-HT screen 0.1 M Citric acid , pH 3.5, 10 % w/v Polyethylene glycol 6,000, 6 % v/v Ethylene glycol