6RNL

L-[Ru(TAP)2(dppz)]2+ bound to the G-quadruplex forming sequence d(TAGGGTT)

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	2018-07-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.5570
Spacegroup name	P 65
Unit cell lengths	38.514, 38.514, 128.804
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.289 - 1.880
R-factor	0.1885
Rwork	0.187
R-free	0.21450
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	2.287
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	SHELXDE
Refinement software	PHENIX ((1.15rc2_3433: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.289	1.947
High resolution limit [Å]	1.880	1.880
Rmerge	0.120
Number of reflections	17170	884
<I/σ(I)>	14.36	1.1
Completeness [%]	99.0	90.72
Redundancy	19.9
CC(1/2)	0.999	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 M potassium chloride, 0.025 sodium cacodylate, 17.5% Tacsimate pH 6.0, and 0.0005 M spermine.