9ND7

[T:Ag+/Hg2+:T--(pH8-pH9.5; 75s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8 and soaked in pH 9.5 for 75s

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	104.431, 104.431, 92.838
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.740 - 5.700
R-factor	0.1433
Rwork	0.140
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.021
RMSD bond angle	1.912
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]	19.740	19.736	6.495
High resolution limit [Å]	5.697	9.976	5.697
Number of reflections	1794	181	181
<I/σ(I)>	6
Completeness [%]	86.6
Redundancy	5.5
CC(1/2)	0.991	0.992	0.313

Crystallization Conditions

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