8DXD

[C:Hg2+/Ag+:C--pH 8] 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	105.560, 105.560, 93.091
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.610 - 4.280
R-factor	0.2311
Rwork	0.229
R-free	0.26700
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.248
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]	65.230	4.880
High resolution limit [Å]	4.280	4.280
Number of reflections	3486	386
<I/σ(I)>	9.1
Completeness [%]	83.9
Redundancy	10.7
CC(1/2)	1.000	0.090

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	40 mM Tris, 125 mM Magnesium sulfate, 12 uM silver nitrate, 24 uM mercury chloride