4E95

Lambda-[Ru(TAP)2(dppz-(Me)2)]2+ bound to CCGGATCCGG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	47.440, 47.440, 34.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.550 - 1.940
R-factor	0.18603
Rwork	0.183
R-free	0.24635
Structure solution method	SAD
RMSD bond length	0.022
RMSD bond angle	3.707
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXCD
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.530	1.990
High resolution limit [Å]	1.940	1.940
Number of reflections	3216
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	1ul 2mM DNA, 1ul 4mM lambda-[Ru(TAP)2(dppz-(Me)2]Cl2, 6ul 10% 2-methyl-2,4-pentanediol, 40mM sodium cacodylate, 12mM spermine tetra-HCl, 80mM potassium chloride, 20mM barium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 298K