7AK9

Structure of Salmonella TacT3 toxin bound to TacA3 antitoxin C-terminal peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	56.671, 76.633, 119.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.760 - 2.550
R-factor	0.2287
Rwork	0.226
R-free	0.28170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g96
RMSD bond length	0.005
RMSD bond angle	1.369
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.270	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.180	0.913
Rmeas	0.188	0.953
Rpim	0.053	0.272
Number of reflections	17644	10053
<I/σ(I)>	10
Completeness [%]	100.0	94.97
Redundancy	12.4
CC(1/2)	0.997	0.521

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2M Ammonium phosphate dibasic 20% PEG3350