4III

Lambda-[Ru(TAP)2(11-Cl-dppz)] with a DNA decamer at atomic 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	PIXEL
Collection date	2012-12-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.8266
Spacegroup name	P 43 21 2
Unit cell lengths	42.340, 42.340, 39.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.930 - 1.020
R-factor	0.10142
Rwork	0.101
R-free	0.11391
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qrn
RMSD bond length	0.020
RMSD bond angle	2.340
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.950	1.050
High resolution limit [Å]	1.020	1.020
Number of reflections	18496
Completeness [%]	100.0	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	291	1mM d(TCGGCGCCGA)2, 3mM [Ru(TAP)2(11-Cl-dppz)]2Cl, 40mM sodium cacodylate pH 6.3, 12mM spermine, 80mM KCl, 20mM BaCl2, 10% 2-methyl-2,4-pentanediol, VAPOR DIFFUSION, SITTING DROP, temperature 291K