5IU5

Lambda-[Ru(TAP)2(dppz)]2+ bound to d(TCGGCICCGA)2

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	2014-10-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	47.780, 47.780, 33.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.786 - 1.900
R-factor	0.1996
Rwork	0.199
R-free	0.21000
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	2.046
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.780	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.034	0.985
Number of reflections	3067
<I/σ(I)>	21.9	1.6
Completeness [%]	93.9	93.1
Redundancy	6.4	6.2
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1uL 2mM d(TCGGCICCGA) 1uL 4mM rac-RuTAP2dppz 6uL of a solution containing 20mM BaCl2, 80mM KCl, 40mM Na-cacodylate pH 7, 12mM spermine, 10% (V/V) hexylene glycol