9XV9

Crystal structure of single-strand DNA-stabilized Ag16 nanocluster: T5 linker

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE MicroMAX
Synchrotron site	MAX IV
Beamline	MicroMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-09
Detector	DECTRIS EIGER2 X CdTe 9M
Wavelength(s)	0.97761
Spacegroup name	P 4
Unit cell lengths	77.045, 77.045, 21.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.520 - 2.000
R-factor	0.1375
Rwork	0.135
R-free	0.16160
Structure solution method	AB INITIO PHASING
RMSD bond length	0.010
RMSD bond angle	1.612
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]	38.520	38.520	2.050
High resolution limit [Å]	2.000	8.930	2.000
Rmerge	0.089	0.046	0.280
Rmeas	0.096	0.051	0.303
Number of reflections	16707	179	1214
<I/σ(I)>	15.31
Completeness [%]	99.4
Redundancy	6.98
CC(1/2)	0.997	0.996	0.981

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