7SDG

[C:Ag+:C] 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	105.984, 105.984, 90.264
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.380 - 3.630
R-factor	0.1888
Rwork	0.188
R-free	0.20700
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.232
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]	64.357	64.357	4.056
High resolution limit [Å]	3.627	10.066	3.627
Number of reflections	2608	200	199
<I/σ(I)>	9.5	27.4	0.6
Completeness [%]	84.7	100	44
Redundancy	10.8	11.6	10.2
CC(1/2)	1.000	1.000	0.082

Crystallization Conditions

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