6D0H

ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-08
Detector	DECTRIS PILATUS3 R 300K
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	41.867, 51.342, 57.797
Unit cell angles	84.31, 73.93, 84.78

Refinement procedure

Resolution	24.625 - 1.500
R-factor	0.149
Rwork	0.148
R-free	0.17500
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MERLOT
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.480
High resolution limit [Å]	1.450	3.930	1.450
Rmerge	0.048	0.032	0.202
Rmeas	0.057	0.038	0.282
Rpim	0.029	0.019	0.196
Total number of observations	220685
Number of reflections	76745	4052	1965
<I/σ(I)>	19.3
Completeness [%]	94.1	99.6	48.1
Redundancy	2.9	3.7	1.2
CC(1/2)		0.998	0.878

Crystallization Conditions

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