3QRN

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

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	2011-02-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	42.320, 42.320, 39.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.930 - 1.100
R-factor	0.10755
Rwork	0.107
R-free	0.12445
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qf8
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.160	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.066	0.452
Number of reflections	14312
<I/σ(I)>		6.1
Completeness [%]	88.1	100
Redundancy		16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	276	10%(v/v) 2-methyl-2,4-pentanediol, 40mM sodium cacodylate, 12mM spermine tetra-HCl, 80mM sodium chloride, 20mM barium chloride, 1mM DNA d(TCGGCGCCGA), 1mM lambda-[Ru(tap)2dppz)Cl2, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 276K