4X18

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

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	2014-07-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.7749
Spacegroup name	P 43 21 2
Unit cell lengths	42.160, 42.160, 39.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.700 - 1.050
R-factor	0.09628
Rwork	0.096
R-free	0.10497
Structure solution method	SAD
RMSD bond length	0.038
RMSD bond angle	2.815
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.700	1.080
High resolution limit [Å]	1.050	1.050
Rmerge		0.800
Number of reflections	16873
<I/σ(I)>	21.8	2.1
Completeness [%]	99.1	97.7
Redundancy	6.2	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	1uL 2mM d(TCGGCGCCGA), 1uL 4mM rac-[Ru(TAP)2(dppz-11-Me)]2+, 6uL of a solution containing 20mM BaCl2, 80mM KCl, 12mM Spermine, 40mM Na-cacodylate pH 7, 10% v/v 2-methyl-2,4-pentanediol. Equilibriated against 1ml 35% 2-methyl-2,4-pentanediol.