7SDO

[iU: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	2020-12-12
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.00743
Spacegroup name	H 3
Unit cell lengths	105.823, 105.823, 91.006
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.370 - 3.620
R-factor	0.2681
Rwork	0.265
R-free	0.34500
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.929
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]	64.576	64.576	4.081
High resolution limit [Å]	3.620	10.183	3.620
Number of reflections	2800	200	199
<I/σ(I)>	8.9		0.8
Completeness [%]	82.9		33.6
Redundancy	10.6
CC(1/2)	0.999	0.999	0.102

Crystallization Conditions

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