7TI3

[T:Hg2+:T--pH 11] Metal-mediated DNA base pair in tensegrity triangle

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	2021-12-13
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00743
Spacegroup name	H 3
Unit cell lengths	106.694, 106.694, 88.189
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.800 - 4.790
R-factor	0.1716
Rwork	0.169
R-free	0.22070
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.351
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]	39.800	5.600
High resolution limit [Å]	4.790	4.790
Number of reflections	2474	414
<I/σ(I)>	8.7
Completeness [%]	83.7
Redundancy	10.6
CC(1/2)	0.998	0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	11	293	Tris, magnesium sulfate, mercury chloride