9PW0

Crystal structure of Taylorella equigenitalis BaDTF3 deaminase toxin DddB 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	2024-02-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979880
Spacegroup name	P 61
Unit cell lengths	120.557, 120.557, 65.334
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.300 - 2.390
R-factor	0.2254
Rwork	0.223
R-free	0.28340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	25.231
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.405	2.600
High resolution limit [Å]	2.390	2.390
Rmerge	0.154	1.350
Rmeas	0.168	1.430
Rpim	0.067	0.473
Number of reflections	16244	812
<I/σ(I)>	6.4	1.6
Completeness [%]	94.6
Redundancy	6.2
CC(1/2)	0.992	0.471

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	J000878, C09_00 0.1 M Sodium chloride, 25 % v/v Pentaerythritol propoxylate (5/4 PO/OH), 10 % v/v Dimethyl sulfoxide