8DXX

[T:Au+:T--(pH11-pH7; 45s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 11 and soaked in pH 7 for 45s

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-12
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00743
Spacegroup name	H 3
Unit cell lengths	106.738, 106.738, 92.197
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.670 - 4.070
R-factor	0.2175
Rwork	0.216
R-free	0.23710
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.032
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]	65.280	4.530
High resolution limit [Å]	4.070	4.070
Number of reflections	3992	408
<I/σ(I)>	7.2
Completeness [%]	86.7
Redundancy	9.2
CC(1/2)	1.000	0.281

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	11	298	40 mM Tris, 125 mM magnesium sulfate, 12 uM gold(I) phosphine