7SM2

[T:Hg2+/Ag+:T--pH 9.5] 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	106.325, 106.325, 92.737
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.240 - 3.920
R-factor	0.2014
Rwork	0.201
R-free	0.21110
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.003
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]	53.160	4.200
High resolution limit [Å]	3.920	3.920
Number of reflections	2708	192
<I/σ(I)>	11.8
Completeness [%]	88.9
Redundancy	10.3
CC(1/2)	0.989	0.213

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	Tris, magnesium sulfate, silver nitrate, mercury chloride