9MM3

[T:Ag+/Hg2+:T--(pH9.5-pH8; 4s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 9.5 and soaked in pH 8 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	2024-08-02
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.00798
Spacegroup name	H 3
Unit cell lengths	104.945, 104.945, 93.456
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.830 - 6.430
R-factor	0.2023
Rwork	0.197
R-free	0.28020
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.938
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	AutoSol
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.830	19.830	9.020
High resolution limit [Å]	6.430	9.020	6.430
Number of reflections	966	442	241
<I/σ(I)>	3.1
Completeness [%]	80.9
Redundancy	3.6
CC(1/2)	0.975	0.983	0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	40 mM Tris, 125 mM Magnesium sulfate, 12 uM silver nitrate, 24 uM mercury chloride