9MM4

[T:Ag+/Hg2+:T--(pH9.5-pH8; 7s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 9.5 and soaked in pH 8 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	2024-08-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.007428
Spacegroup name	H 3
Unit cell lengths	105.255, 105.255, 95.749
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.150 - 6.500
R-factor	0.1557
Rwork	0.152
R-free	0.18230
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.984
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]	42.384	8.069
High resolution limit [Å]	6.496	6.496
Number of reflections	1004	714
<I/σ(I)>	3.2
Completeness [%]	64.3
Redundancy	2.2
CC(1/2)	0.999	0.392

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