7SM6

[U:Hg2+/Hg2+:U--pH 8.5] Metal-mediated DNA base pair in tensegrity triangle in Ag+ and Hg2+ solution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00743
Spacegroup name	H 3
Unit cell lengths	106.269, 106.269, 93.583
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.290 - 3.800
R-factor	0.1955
Rwork	0.192
R-free	0.27150
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.056
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.620	4.090
High resolution limit [Å]	3.800	3.800
Number of reflections	2991	200
<I/σ(I)>	13
Completeness [%]	88.5
Redundancy	10.6
CC(1/2)	0.999	0.354

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	Tris, magnesium sulfate, silver nitrate, mercury chloride