4R8J

d(TCGGCGCCGA) with lambda-[Ru(TAP)2(dppz)]2+ soaked in D2O

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	2014-08-14
Detector	PSI PILATUS 6M
Spacegroup name	P 43 21 2
Unit cell lengths	42.370, 42.370, 39.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.660 - 1.210
R-factor	0.11
Rwork	0.109
R-free	0.12500
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	2.592
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	18.660
High resolution limit [Å]	1.210
Number of reflections	11471
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	291	The drops contained 1 l of 2mM oligonuclotide, 1 l of 4mM rac [Ru(TAP)2(dppz)]Cl2 and 6 l of the following solution; 10% (vol/vol) MPD, 40 mM sodium cacodylate (pH 6.0), 12mM spermine tetra-HCl, 80mM sodium chloride and 20 mM barium chloride. The drop was equilibrated against 1ml of 35% (vol/vol) 2-methyl-2,4-pentanediol (MPD) in H2O , VAPOR DIFFUSION, SITTING DROP, temperature 291K