4GQJ

Complex of a binuclear Ruthenium compound D,D-([mu-(11,11')-bi(dppz)-(1,10-phenanthroline)4-Ru2]4+) bound to d(CGTACG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.07205
Spacegroup name	P 41 3 2
Unit cell lengths	85.429, 85.429, 85.429
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.205 - 2.951
R-factor	0.1786
Rwork	0.177
R-free	0.20650
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.390
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.110
High resolution limit [Å]	2.950	2.950
Rmerge	0.118	0.620
Number of reflections	2419
<I/σ(I)>	10.3	2.1
Completeness [%]	97.0	99
Redundancy	4.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	298	buffer: 0.2 M KCl 10 mM MgCl2 35% hexanediol 50 mM TRIS.HCl pH 8 drop composition: 0.5 ul 10 mM binuclear Ru compound 0.5 ul 10 mM [ssDNA] 5'-d(CGTACG)-3' 1 ul cryst. buffer 0.5 ul , VAPOR DIFFUSION, SITTING DROP, temperature 298K