9MMD

[T:Ag+/Hg2+:T--(pH9.5-pH11; 21s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 9.5 and soaked in pH 11 with Ag+ and Hg2+ for 21s

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	105.670, 105.670, 95.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.970 - 5.030
R-factor	0.199
Rwork	0.198
R-free	0.20600
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.023
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]	19.970	5.760
High resolution limit [Å]	5.030	5.030
Number of reflections	2578	430
<I/σ(I)>	5.6	1.2
Completeness [%]	84.1
Redundancy	5.4
CC(1/2)	0.993	0.139

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