23LP

Two of a kind: composition, structure, and photophysics of two DNA-AgNCs stabilized by the same DNA-sequence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-11-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.800001
Spacegroup name	C 1 2 1
Unit cell lengths	30.350, 53.920, 138.137
Unit cell angles	90.00, 89.97, 90.00

Refinement procedure

Resolution	26.460 - 1.700
R-factor	0.1823
Rwork	0.181
R-free	0.19340
Structure solution method	AB INITIO PHASING
RMSD bond length	0.010
RMSD bond angle	1.292
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Sir2014 (SIR2019)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.460	26.460	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.060	0.046	0.228
Rmeas	0.071	0.055	0.270
Number of reflections	47494	467	3446
<I/σ(I)>	13.61
Completeness [%]	98.4
Redundancy	3.53
CC(1/2)	0.996	0.993	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	ammonium nitrate, spermine, MOPS, PEG 3350