7UJZ

[T:Cd2+/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	2021-12-11
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00743
Spacegroup name	H 3
Unit cell lengths	106.081, 106.081, 91.646
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.070 - 3.940
R-factor	0.2178
Rwork	0.217
R-free	0.23680
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.069
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]	64.880	4.290
High resolution limit [Å]	3.940	3.940
Number of reflections	4724	396
<I/σ(I)>	11.1
Completeness [%]	87.9
Redundancy	10.7
CC(1/2)	0.998	0.183

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 cadmium(II) chloride