9MM7

[T:Ag+/Hg2+:T--(pH8-pH9.5; 4s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 8 and soaked in pH 9.5 for 4s

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)	1.007428
Spacegroup name	H 3
Unit cell lengths	104.798, 104.798, 95.355
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.800 - 4.880
R-factor	0.172
Rwork	0.170
R-free	0.20940
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.584
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]	19.805	5.600
High resolution limit [Å]	4.880	4.880
Number of reflections	2662	380
<I/σ(I)>	5.7
Completeness [%]	84.5
Redundancy	5.6
CC(1/2)	0.993	0.676

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