4M3V

X-ray crystal structure of the ruthenium complex [Ru(Tap)2(dppz-{Me2})]2+ bound to d(TCGGTACCGA)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97630, 1.65310
Spacegroup name	P 43 21 2
Unit cell lengths	52.220, 52.220, 34.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.930 - 2.050
R-factor	0.24806
Rwork	0.245
R-free	0.32103
RMSD bond length	0.022
RMSD bond angle	2.184
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall
Low resolution limit [Å]	36.930
High resolution limit [Å]	1.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	10ul drop containing: 1ul of 4mM lambda-[Ru(TAP)2(dppz-{Me2})]2+; 1ul of 1mM d(TCGGTACCGA)2, and a 8ul solution containing 12mM spermine, 10% 2-methyl-2,4-pentanediol, 40mM sodium cacodylate pH 7.0, 80mM NaCl and 20mM BaCl2. This was equilibrated against a 1ml reservoir of 35% 2-methyl-2,4-pantanediol., VAPOR DIFFUSION, SITTING DROP, temperature 293K