7D8O

Crystal structure of E. coli ToxIN type III toxin-antitoxin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	86.630, 86.643, 123.568
Unit cell angles	90.00, 91.66, 90.00

Refinement procedure

Resolution	43.297 - 2.097
R-factor	0.2132
Rwork	0.213
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xdb
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.940	2.107
High resolution limit [Å]	2.097	2.097
Number of reflections	104879	16559
<I/σ(I)>	3.53
Completeness [%]	97.7
Redundancy	3.471
CC(1/2)	0.993	0.517

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M disodium succinate pH 5.5, 0.02M MgCl2, 0.0015M spermidine, 2.4M ammonium sulfate