6X0A

X-ray structure of a chimeric ParDE toxin-antitoxin complex from Mesorhizobium opportunistum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97918
Spacegroup name	P 32
Unit cell lengths	148.540, 148.540, 195.270
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.810 - 2.900
R-factor	0.2554
Rwork	0.255
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6X09
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.950
High resolution limit [Å]	2.900	7.830	2.900
Rmerge	0.117	0.053	0.918
Rmeas	0.131	0.060	1.051
Rpim	0.059	0.027	0.500
Total number of observations	514447
Number of reflections	105559	5308	4930
<I/σ(I)>	5.1
Completeness [%]	99.0	99.5	91.7
Redundancy	4.9	4.6	3.8
CC(1/2)		0.997	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M ammonium acetate, 0.1 M sodium citrate tribasic dihydrate pH 5.5, 24% v/v polyethylene glycol 400