9ND9

[T:Ag+/Hg2+:T--(pH11-pH9.5; 5s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8 and soaked in pH 9.5 Ag/Hg for 5s

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	104.940, 104.940, 95.751
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.830 - 4.660
R-factor	0.1662
Rwork	0.165
R-free	0.18030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.119
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]	19.832	19.832	5.192
High resolution limit [Å]	4.650	9.859	4.650
Number of reflections	2996	195	194
<I/σ(I)>	7.7
Completeness [%]	86.2
Redundancy	5.5
CC(1/2)	0.996	0.994	0.614

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	11	293	100 mM MOPS, 1.25 M magnesium sulfate