7SM1

[T:Hg2+/Hg2+:T--pH 9] 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	105.972, 105.972, 93.743
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.740 - 3.810
R-factor	0.2586
Rwork	0.256
R-free	0.32360
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.852
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]	52.990	4.220
High resolution limit [Å]	3.810	3.810
Number of reflections	2617	205
<I/σ(I)>	12.8
Completeness [%]	86.0
Redundancy	10.6
CC(1/2)	0.997	0.302

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	Tris, magnesium sulfate, silver nitrate, mercury chloride