7TFU

[T:Ag+/Hg2+:T--(pH11-pH7; 30s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 11 and soaked in pH 7 for 30s

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	106.829, 106.829, 88.403
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.880 - 4.550
R-factor	0.1875
Rwork	0.185
R-free	0.25180
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.177
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]	63.920	5.180
High resolution limit [Å]	4.550	4.550
Number of reflections	2988	428
<I/σ(I)>	10.2
Completeness [%]	85.5
Redundancy	10.6
CC(1/2)	0.989	0.368

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	11	293	Tris, magnesium sulfate, silver nitrate, mercury chloride