3U38

Intercalation of lambda-[Ru(phen)2(dppz)]2+ into d(CCGGTACCGG)2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9464
Spacegroup name	P 43 21 2
Unit cell lengths	52.560, 52.560, 32.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.860 - 2.130
R-factor	0.17879
Rwork	0.176
R-free	0.23152
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	2.972
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.550	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	2783
Completeness [%]	95.7	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	40mM pH 7 sodium cacodylate, 12mM spermine, 20mM BaCl2, 10% 2-methyl-2,4-pentanediol, 1mM oligonuclotide, 3mM lambda-[Ru(phenanthroline)2dipyridophenazine]Cl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K