4MJ9

lambda-[Ru(TAP)2(dppz-10-Me)]2+ bound to a synthetic DNA oligomer

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	2013-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.8856
Spacegroup name	P 43 21 2
Unit cell lengths	42.270, 42.270, 39.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.140 - 0.970
R-factor	0.0865
Rwork	0.086
R-free	0.09564
Structure solution method	SAD
RMSD bond length	0.032
RMSD bond angle	2.549
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.140	1.000
High resolution limit [Å]	0.970	0.970
Number of reflections	20804
Completeness [%]	95.9	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	291	1ul 1mM d(TCGGCGCCGA)2, 1ul 4mM rac-Ru(TAP)2(dppz-10-Me)]2+, 6ul 40mM Na cacodylate pH 6.3, 12mM spermine-tetra HCl, 20mM BaCl2, 80mM KCl, 10% 2-methyl-2,4-pentanediol equilibriated against 1ml 35% 2-methyl-2,4-pentanediol , VAPOR DIFFUSION, SITTING DROP, temperature 291K