4PU4

Shewanella oneidensis MR-1 Toxin Antitoxin System HipA, HipB and its operator DNA complex (space group P21)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	200
Detector technology	PIXEL
Collection date	2013-03-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	72.240, 57.330, 171.380
Unit cell angles	90.00, 95.81, 90.00

Refinement procedure

Resolution	47.573 - 3.786
R-factor	0.2399
Rwork	0.236
R-free	0.30640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dnv
RMSD bond length	0.005
RMSD bond angle	0.946
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine: dev_1287))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.573
High resolution limit [Å]	3.786	3.786
Number of reflections	13858
Completeness [%]	97.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	0.2 M calcium acetate hydrate, pH 7.5, 20% PEG3350, VAPOR DIFFUSION, temperature 293K
1	VAPOR DIFFUSION	7.5	293	0.2 M calcium acetate hydrate, pH 7.5, 20% PEG3350, VAPOR DIFFUSION, temperature 293K