7SDH

[S:Ag+:S] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice

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	2020-11-14
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00743
Spacegroup name	H 3
Unit cell lengths	105.857, 105.857, 93.859
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.790 - 4.050
R-factor	0.1872
Rwork	0.184
R-free	0.23590
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.461
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	AutoSol
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.582	65.582	4.637
High resolution limit [Å]	4.050	10.253	4.052
Rpim			2.942
Number of reflections	1990	198	201
<I/σ(I)>	5.8	15
Completeness [%]	84.9	100	50.1
Redundancy	10.2	15	10.5
CC(1/2)	0.999	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	MOPS, Magnesium sulfate, Silver nitrate