9PW1

Crystal structure of Taylorella equigenitalis BaDTF3 deaminase toxin DddB (N-terminally truncated) bound to double-stranded DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92009
Spacegroup name	I 4 2 2
Unit cell lengths	179.565, 179.565, 43.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.610 - 2.910
R-factor	0.1948
Rwork	0.193
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	25.598
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]	126.972	3.065
High resolution limit [Å]	2.910	2.914
Rmerge	0.167	3.323
Rmeas	0.174	3.443
Rpim	0.048	0.898
Total number of observations		5361
Number of reflections	7362	368
<I/σ(I)>	9.9	0.8
Completeness [%]	90.1
Redundancy	13.6	14.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	J000778, C01_10 0.2 M, Magnesium acetate, 20 % w/v, Polyethylene glycol 3350, pH 7.9