5LFW

Lambda-[Ru(phen)2(dppz)]2+ bound to a short substituted DNA sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.8266
Spacegroup name	P 64 2 2
Unit cell lengths	67.340, 67.340, 35.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.520 - 1.280
R-factor	0.14241
Rwork	0.141
R-free	0.17102
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	2.461
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXCD
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.520	1.310
High resolution limit [Å]	1.280	1.280
Rmerge	0.044	0.872
Number of reflections	12524
<I/σ(I)>	17.9	2.2
Completeness [%]	98.0	98
Redundancy	9.4	9.4
CC(1/2)	0.999	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	1ul 2mM DNA (single stranded), 1uL 4mM Lambda-[Ru(phen)2(dppz)]2+, 6uL of 10% 2-methyl-2,4-pentanediol, 40mM sodium cacodylate, 12mM spermine, 80mM KCl, 20mM BaCl2. Equilibrated against 1ml 2-methyl-2,4-pentanediol, pH 7,