8DXY

[T:Au+:T--(pH11-pH7; 180s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 11 and soaked in pH 7 for 180s

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	107.523, 107.523, 90.167
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.040 - 4.870
R-factor	0.1812
Rwork	0.179
R-free	0.22550
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.087
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]	20.040	5.510
High resolution limit [Å]	4.870	4.870
Number of reflections	2754	386
<I/σ(I)>	10.1
Completeness [%]	86.3
Redundancy	10.8
CC(1/2)	0.999	0.346

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