9MMB

[T:Ag+/Hg2+:T--(pH9.5-pH11; 40s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 9.5 and soaked in pH 11 for 40s

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)	0.97856
Spacegroup name	H 3
Unit cell lengths	104.484, 104.484, 95.493
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.750 - 4.720
R-factor	0.1497
Rwork	0.148
R-free	0.16490
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.669
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]	19.750	5.160
High resolution limit [Å]	4.600	4.600
Number of reflections	3274	410
<I/σ(I)>	8.6
Completeness [%]	86.9
Redundancy	5.6
CC(1/2)	0.998	0.382

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