3UYB

X-ray crystal structure of the ruthenium complex [Ru(tap)2(dppz)]2+ bound to d(TCGGTACCGA)

Replaces:  3UYA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-06-12
Detector	PSI PILATUS 6M
Wavelength(s)	0.98400
Spacegroup name	P 43 21 2
Unit cell lengths	54.376, 54.376, 28.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.450 - 1.500
R-factor	0.12859
Rwork	0.127
R-free	0.16672
Structure solution method	SAD
RMSD bond length	0.034
RMSD bond angle	3.537
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]	38.450	1.580
High resolution limit [Å]	1.500	1.500
Number of reflections	7382
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	10%(v/v) 2-methyl-2,4-pentanediol, 40mM sodium cacodylate, 12mM spermine tetra-HCl, 80mM sodium chloride, 20mM barium chloride, 1mM DNA d(TCGGTACCGA), 1mM lambda-[Ru(tap)2dppz)Cl2 , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K