9MMA

[T:Ag+/Hg2+:T--(pH9.5-pH11; 20s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 9.5 and soaked in pH 11 for 20s

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	104.402, 104.402, 95.175
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.730 - 5.030
R-factor	0.1793
Rwork	0.179
R-free	0.19400
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.137
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]	19.730	5.610
High resolution limit [Å]	5.030	5.030
Number of reflections	2612	374
<I/σ(I)>	6.9
Completeness [%]	86.6
Redundancy	5.5
CC(1/2)	0.996	0.418

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