7SDQ

[mC: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	2020-11-14
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1.65313
Spacegroup name	H 3
Unit cell lengths	105.465, 105.465, 93.608
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.650 - 4.300
R-factor	0.2002
Rwork	0.200
R-free	0.20940
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.217
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]	65.373	65.373	4.773
High resolution limit [Å]	4.300	10.037	4.300
Rmerge			8.005
Number of reflections	1899	209	211
<I/σ(I)>	5.2		0.7
Completeness [%]	87.9		61.2
Redundancy	9.9
CC(1/2)	0.999	0.984

Crystallization Conditions

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