7AK8

Structure of Salmonella TacT1 toxin bound to TacA1 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	2018-05-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 32
Unit cell lengths	96.140, 96.140, 120.638
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.850 - 2.500
R-factor	0.2164
Rwork	0.214
R-free	0.26780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fvj
RMSD bond length	0.006
RMSD bond angle	1.377
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.850	48.860	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.128
Rmeas	0.138	0.063	0.970
Rpim	0.050	0.023	0.352
Total number of observations		16143	15873
Number of reflections	43178	2181	2149
<I/σ(I)>	8.4	23	1.6
Completeness [%]	100.0	100	100
Redundancy	7.5	7.4	7.4
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	1.0 M Ammonium tartrate dibasic, 0.1 M Sodium acetate trihydrate