6CHV

Proteus vulgaris HigA antitoxin bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-22
Detector	RAYONIX MX300-HS
Wavelength(s)	1.000
Spacegroup name	P 65
Unit cell lengths	79.449, 79.449, 399.427
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.724 - 2.900
R-factor	0.2265
Rwork	0.225
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mct
Data reduction software	xia2 (0.5.474)
Data scaling software	Aimless (0.6.2)
Phasing software	PHENIX
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.410	40.410	3.060
High resolution limit [Å]	2.900	9.170	2.900
Rmerge	0.127	0.062	0.389
Rmeas	0.132	0.065	0.404
Rpim	0.035	0.019	0.109
Number of reflections	76031	1020	4673
<I/σ(I)>	11.1
Completeness [%]	100.0	98.9	100
Redundancy	13.8	12.8	13.8
CC(1/2)	0.998	0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M CaCl2 and 10-25% w/v PEG 3,350