8OYR

DNA Major Groove Binding by lambda-[Ru(phen)2(phi)]2+

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	2023-01-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763, 0.5585
Spacegroup name	P 4 2 2
Unit cell lengths	56.990, 56.990, 30.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.660 - 2.210
R-factor	0.2333
Rwork	0.230
R-free	0.26280
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.749
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	SHELX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.980	2.250
High resolution limit [Å]	2.210	2.210
Rmerge		9.990
Number of reflections	4817	132
<I/σ(I)>	21.5	0
Completeness [%]	100.0	100
Redundancy	28.8
CC(1/2)	0.999	0.094

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.04 M Strontium Chloride hexahydrate, 0.02 M Sodium cacodylate trihydrate pH 7.0, 10% w/v MPD, 0.006 M spermine tetrahydrochloride, 0.01 M Magnesium chloride hexahydrate.