9MMC

[T:Ag+/Hg2+:T--(pH9.5-pH11; 7s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 9.5 and soaked in pH 11 with Ag+ and Hg2+ for 7s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97856
Spacegroup name	H 3
Unit cell lengths	105.386, 105.386, 93.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.920 - 4.700
R-factor	0.1546
Rwork	0.154
R-free	0.15980
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.152
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.920	5.310
High resolution limit [Å]	4.700	4.700
Number of reflections	2962	424
<I/σ(I)>	8.5
Completeness [%]	86.1
Redundancy	5.6
CC(1/2)	0.998	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	40 mM Tris, 125 mM Magnesium sulfate, 12 uM silver nitrate, 24 uM mercury chloride