8DXC

[C:Hg2+/Ag+:C--pH 7.5] 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	2021-12-12
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00743
Spacegroup name	H 3
Unit cell lengths	106.517, 106.517, 90.597
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.660 - 5.040
R-factor	0.2621
Rwork	0.259
R-free	0.31820
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.021
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]	64.640	6.010
High resolution limit [Å]	5.040	5.040
Number of reflections	2008	404
<I/σ(I)>	4.8
Completeness [%]	81.0
Redundancy	7.6
CC(1/2)	0.997	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	40 mM Tris, 125 mM Magnesium sulfate, 12 uM silver nitrate, 24 uM mercury chloride