7SDT

[iU: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)	1.65313
Spacegroup name	H 3
Unit cell lengths	105.881, 105.881, 94.823
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.110 - 4.000
R-factor	0.1963
Rwork	0.196
R-free	0.21210
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.784
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]	65.916	65.916	4.290
High resolution limit [Å]	4.000	10.081	4.000
Rpim			4.493
Number of reflections	2298	209	208
<I/σ(I)>	4.7		0.6
Completeness [%]	90.1		77.1
Redundancy	9.7
CC(1/2)	0.997	0.997

Crystallization Conditions

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