9MM8

[T:Ag+/Hg2+:T--(pH8-pH9.5; 16s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8 and soaked in pH 9.5 for 16s

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	104.662, 104.662, 94.963
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.060 - 4.610
R-factor	0.2055
Rwork	0.204
R-free	0.22560
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.175
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]	65.570	5.180
High resolution limit [Å]	4.610	4.610
Number of reflections	3212	402
<I/σ(I)>	7.5
Completeness [%]	86.5
Redundancy	11.3
CC(1/2)	0.993	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	40 mM Tris, 125 mM Magnesium sulfate, 12 uM silver nitrate, 24 uM mercury chloride