6D0I

ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS. L48M ParT, SeMet-substituted complex.

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	2017-03-20
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.979272
Spacegroup name	P 1
Unit cell lengths	41.977, 51.319, 57.941
Unit cell angles	84.68, 73.82, 85.51

Refinement procedure

Resolution	29.030 - 1.550
R-factor	0.1604
Rwork	0.159
R-free	0.19030
RMSD bond length	0.006
RMSD bond angle	1.112
Data reduction software	DENZO
Data scaling software	Aimless (0.5.31)
Phasing software	MERLOT
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.030	29.030	1.550
High resolution limit [Å]	1.510	6.740	1.510
Rmerge	0.116	0.097	0.682
Rmeas	0.122	0.103	0.728
Rpim	0.037	0.032	0.249
Total number of observations	731885
Number of reflections	69683	802	4179
<I/σ(I)>	13.6
Completeness [%]	95.5	98.6	77.8
Redundancy	10.5	10.2	8.3
CC(1/2)	0.997	0.992	0.789

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	10% MPD, 100 mM sodium acetate trihydrate