5NBE

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	47.880, 47.880, 29.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.890 - 1.510
R-factor	0.16628
Rwork	0.165
R-free	0.19033
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	2.869
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.890	1.550
High resolution limit [Å]	1.510	1.510
Rmerge	0.078	1.318
Rpim	0.039	0.588
Number of reflections	5452	394
<I/σ(I)>	11.4	1.4
Completeness [%]	96.7	97.2
Redundancy	6.2	5.9
CC(1/2)	0.998	0.593

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	1uL 1mM dsDNA, 1ul 4mM rac[Ru(TAP)2(dppz-11-CM)]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.