9XVA

Crystal structure of single-strand DNA-stabilized Ag16 nanocluster: T6 linker

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	2025-10-10
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.00003
Spacegroup name	P 4
Unit cell lengths	80.847, 80.847, 24.508
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.420 - 1.700
R-factor	0.1448
Rwork	0.144
R-free	0.15530
Structure solution method	AB INITIO PHASING
RMSD bond length	0.010
RMSD bond angle	1.649
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	Sir2014 (2019)
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.420	40.420	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.083	0.071	0.217
Rmeas	0.090	0.080	0.235
Number of reflections	34153	356	2545
<I/σ(I)>	15.86
Completeness [%]	99.7
Redundancy	6.73
CC(1/2)	0.995	0.987	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	polyethylene glycol 3350, spermine, potassium nitrate, and 3-(N-morpholino)propanesulfonic acid