7UK0

[T:Au+:T--pH 11 w/ HgCl2] Metal-mediated DNA base pair in tensegrity triangle

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2022-03-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.02466, 1.00743
Spacegroup name	H 3
Unit cell lengths	106.855, 106.855, 88.652
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.020 - 4.360
R-factor	0.2437
Rwork	0.242
R-free	0.27500
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.916
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.020	4.940
High resolution limit [Å]	4.360	4.360
Number of reflections	3292	412
<I/σ(I)>	4.2
Completeness [%]	85.3
Redundancy	5.1
CC(1/2)	0.996	0.264

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	11	293	400 mM Tris, 1.25 M magnesium sulfate, 72 uM mercury(II) chloride, 36 uM gold(I) phosphine