4RE7

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

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
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	47.830, 47.830, 32.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.821 - 2.181
R-factor	0.195
Rwork	0.193
R-free	0.24170
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.915
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.830	2.240
High resolution limit [Å]	2.180	2.180
Rmerge	0.137	1.122
Number of reflections	2012
<I/σ(I)>	11.5	1.9
Completeness [%]	94.1	93
Redundancy	10.5	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	1 uL 2 mM oligonucleotide (double HPLC-purified) + 1 uL 2 mM lambda-[Ru(TAP)2(dppz)]Cl2 + 6 uL 10% v/v MPD, 40 mM sodium cacodylate, pH 6.0, 12 mM spermine tetrahydrochloride, 80 mM sodium chloride, 20 mM barium chloride equilibrated against 1 mL 35% v/v MPD, VAPOR DIFFUSION, SITTING DROP, temperature 291K