7SE2

[C:Ag+:mC] 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	106.849, 106.849, 91.264
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.660 - 4.030
R-factor	0.2605
Rwork	0.260
R-free	0.26890
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	0.952
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]	64.978	64.978	4.575
High resolution limit [Å]	4.030	10.338	4.035
Rmerge			8.928
Number of reflections	1941	192	195
<I/σ(I)>	5.3		0.5
Completeness [%]	82.9		48
Redundancy	10.6
CC(1/2)	0.999	0.999

Crystallization Conditions

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