7SDF

[C: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	106.173, 106.173, 92.653
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.630 - 3.460
R-factor	0.1739
Rwork	0.172
R-free	0.21850
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.906
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]	65.265	65.265	3.792
High resolution limit [Å]	3.460	10.107	3.460
Number of reflections	3296	205	204
<I/σ(I)>	12.9	41.7	1
Completeness [%]	87.0	100	44.7
Redundancy	10.7	11	10.8
CC(1/2)	0.999	0.999	0.467

Crystallization Conditions

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