7SDK

[mC: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)	1.00743
Spacegroup name	H 3
Unit cell lengths	105.861, 105.861, 92.448
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.550 - 3.860
R-factor	0.1929
Rwork	0.192
R-free	0.21380
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.253
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	AutoSol
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.097	65.097	4.271
High resolution limit [Å]	3.860	10.079	3.860
Number of reflections	2473	206	206
<I/σ(I)>	13.6		0.4
Completeness [%]	86.2		49.9
Redundancy	10.7
CC(1/2)	1.000	1.000	0.176

Crystallization Conditions

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