7SDL

[S:Ag+:T] 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	2020-10-24
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.65313
Spacegroup name	H 3
Unit cell lengths	105.917, 105.917, 93.855
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.800 - 4.370
R-factor	0.2032
Rwork	0.200
R-free	0.26640
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.149
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]	32.800	32.800	4.969
High resolution limit [Å]	4.368	10.267	4.368
Number of reflections	1730	192	192
<I/σ(I)>	10.6	32.6
Completeness [%]	84.8	99	50.9
Redundancy	10.3	10.2	10.7
CC(1/2)	0.994	0.992	0.197

Crystallization Conditions

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