9ND8

[T:Ag+/Hg2+:T--(pH8-pH9.5; 95s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8 and soaked in pH 9.5 Ag/Hg for 95s

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	105.145, 105.145, 91.471
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.910 - 5.380
R-factor	0.172
Rwork	0.169
R-free	0.24460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.229
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]	19.910	19.910	6.167
High resolution limit [Å]	5.375	9.501	5.375
Number of reflections	2072	208	208
<I/σ(I)>	5.9
Completeness [%]	85.9
Redundancy	5.5
CC(1/2)	0.994	0.993	0.320

Crystallization Conditions

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