9ND6

[T:Ag+/Hg2+:T--(pH8-pH9.5; 50s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8 and soaked in pH 9.5 Ag/Hg for 50s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97856
Spacegroup name	H 3
Unit cell lengths	105.077, 105.077, 92.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.860 - 4.890
R-factor	0.158
Rwork	0.157
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.571
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.860	19.858	5.518
High resolution limit [Å]	4.886	9.752	4.886
Number of reflections	2705	100	194
<I/σ(I)>	7.6
Completeness [%]	86.1
Redundancy	5.5
CC(1/2)	0.995	0.994	0.477

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	100 mM MOPS, 1.25 M magnesium sulfate