6HWG

[Ru(phen)2(dppz-11-CN)]2+ bound to d(TCGGCGCCGA)2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 43
Unit cell lengths	47.936, 47.936, 33.632
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.896 - 1.740
R-factor	0.1946
Rwork	0.194
R-free	0.20550
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.385
Data reduction software	xia2
Data scaling software	pointless
Phasing software	SHELXDE
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.900	1.803
High resolution limit [Å]	1.740	1.740
Rmerge	0.038	0.358
Rmeas	0.053	0.506
Rpim	0.038	0.358
Number of reflections	7989	805
<I/σ(I)>	11.05	1.76
Completeness [%]	99.9	100
Redundancy	2	2
CC(1/2)	0.999	0.382

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	1uL 1mM dsDNA, 1ul 3mM L-[Ru(phen)2(dppz-11-CN)]2+, 6ul of a solution containing 10% (v/v) 2-methyl-2,4-pentanediol, 80mM NaCl, 20mM Na-cacodylate pH 7, 20mM BaCl2 and 12mM spermine tetra-HCl equilibrated against 500uL 35% 2-methyl-2,4-pentanediol