5ET2

Lambda-Ru(TAP)2(dppz)]2+ bound to d(TTGGCGCCAA)

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	2014-10-16
Detector	PSI PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	42.380, 42.380, 39.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.830 - 1.390
R-factor	0.16708
Rwork	0.166
R-free	0.18519
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	2.103
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.830	1.430
High resolution limit [Å]	1.390	1.390
Rmerge	0.071
Number of reflections	7598
<I/σ(I)>	11.9	2.2
Completeness [%]	99.4	99.8
Redundancy	5.9	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	292	1uL 2mM single stranded DNA, 1uL 4mM rac-RuTAP2dppz, 6ul of a solution containing 40mM Na-cacodylate pH 7, 12mM spermine, 20mM BaCl2, 80mM KCl, 10% 2-methyl-2,4-pentanediol.