9KHW

A DNA-stabilized atomically precise silver nanorod with emission at 960 nm

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.9
Spacegroup name	P 1 21 1
Unit cell lengths	27.215, 53.171, 27.215
Unit cell angles	90.00, 103.67, 90.00

Refinement procedure

Resolution	16.820 - 1.300
R-factor	0.1632
Rwork	0.163
R-free	0.16420
Structure solution method	AB INITIO PHASING
RMSD bond length	0.009
RMSD bond angle	1.210
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]	26.400	26.400	1.330
High resolution limit [Å]	1.300	5.800	1.300
Rmerge	0.111	0.056	0.319
Rmeas	0.130	0.065	0.376
Number of reflections	35689	372	2549
<I/σ(I)>	7.25
Completeness [%]	97.1
Redundancy	3.6
CC(1/2)	0.993	0.995	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	50 mM MOPS, 10 mM spermine, 10 mM KNO3, 10% MPD
2	VAPOR DIFFUSION, HANGING DROP	7	293	50 mM 3-(N-morpholino)propanesulfonic acid, 10 mM spermine, 10 mM Ca(NO3), 10% 2-methyl-2,4-pentanediol against a reservoir solution of 40% 2-methyl-2,4-pentanediol.