6R6D

[Ru(TAP)2(11,12-CN2-dppz)]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	2019-02-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	P 43 21 2
Unit cell lengths	46.704, 46.704, 34.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.025 - 1.838
R-factor	0.179
Rwork	0.179
R-free	0.18660
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.150
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.15rc2_3433: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.310	1.870
High resolution limit [Å]	1.838	1.840
Rmerge	0.097
Rmeas	0.100
Rpim	0.021
Number of reflections	6316	180
<I/σ(I)>	17.7
Completeness [%]	100.0	98.9
Redundancy	23.5	24.5
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	1uL 1mM dsDNA, 1ul 5mM rac[Ru(TAP)2(11,12-CN2-dppz)]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.