7SDN

[C:Ag+:U] 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	107.272, 107.272, 92.998
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.860 - 4.320
R-factor	0.1705
Rwork	0.169
R-free	0.19080
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.890
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]	65.725	65.725	4.876
High resolution limit [Å]	4.320	10.198	4.322
Number of reflections	1853	205	206
<I/σ(I)>	5.4	13.6	0.5
Completeness [%]	84.9	100
Redundancy	10.4	10.9	10.7
CC(1/2)	0.995	0.994	0.563

Crystallization Conditions

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