4E7Y

Lambda-[Ru(phen)2(dppz)]2+ Bound to CCGGATCCGG

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	47.720, 47.720, 34.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.740 - 1.700
R-factor	0.15683
Rwork	0.155
R-free	0.18837
Structure solution method	SAD
RMSD bond length	0.024
RMSD bond angle	2.520
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]	34.660	1.750
High resolution limit [Å]	1.700	1.700
Number of reflections	4747
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	1ul 2mM DNA Oligomer, 1ul 3mM Lambda-[Ru(phen)2(dppz)]2+, 1ul 1mM Lambda-[Ru(tap)2(dppz-(Me)2]2+, 6ul 10% 1-methyl-2,4-pentanediol, 40mM Sodium cacodylate, 12mM Spermeine tetra-HCl, 80mM Potassium Chloride, 20mM Barium Chloride, equilibrated against 1ml 35% 2-methyl-2,4-pentanediol, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K