6RSP

L-[Ru(phen)2(11-NO2-dppz)]2+ bound to the Oligonucleotide sequence d(TCGGCGCCGA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9763
Spacegroup name	P 43
Unit cell lengths	47.108, 47.108, 32.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.310 - 1.910
R-factor	0.1876
Rwork	0.186
R-free	0.21050
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.225
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.15rc2_3433: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.310	1.940
High resolution limit [Å]	1.910	1.910
Rmerge	0.057
Rmeas	0.059
Rpim	0.016
Number of reflections	5650	3398
<I/σ(I)>	19
Completeness [%]	100.0
Redundancy	12.9
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	8 uL drop containing; 250 uM d(TCGGCGCCGA), 500 uM rac-[Ru(phen)2(11-NO2-dppz)]Cl2, 7.5% v/v MPD, 30 mM pH 7 sodium cacodylate, 9 mM spermine tetrahydrochloride, 60 mM KCl and 15 mM BaCl2, all equilibrated against 500 uL of 35% v/v MPD