4PU3

Shewanella oneidensis MR-1 Toxin Antitoxin System HipA, HipB and its operator DNA complex (space group P212121)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	200
Detector technology	PIXEL
Collection date	2013-03-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	57.820, 122.450, 189.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.381 - 3.390
R-factor	0.259
Rwork	0.256
R-free	0.31540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dnv
RMSD bond length	0.003
RMSD bond angle	0.800
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]	49.390
High resolution limit [Å]	3.390	3.390
Number of reflections	19211
Completeness [%]	98.9

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