9MM9

[T:Ag+/Hg2+:T--(pH8-pH9.5; 35s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8 and soaked in pH 9.5 for 35s

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	104.751, 104.751, 93.391
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.800 - 4.500
R-factor	0.2194
Rwork	0.217
R-free	0.26480
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.026
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]	19.800	4.930
High resolution limit [Å]	4.390	4.390
Number of reflections	3520	392
<I/σ(I)>	8
Completeness [%]	85.8
Redundancy	5.5
CC(1/2)	0.994	0.439

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