5IX7

Crystal structure of metallo-DNA nanowire with infinite one-dimensional silver array

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-25
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 61 2 2
Unit cell lengths	30.150, 30.150, 118.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.111 - 1.398
R-factor	0.1675
Rwork	0.165
R-free	0.18860
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	1.310
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AutoSol
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.111	26.111	1.430
High resolution limit [Å]	1.400	6.250	1.400
Rmerge	0.075	0.054	0.284
Rmeas	0.079	0.058	0.301
Total number of observations	119653
Number of reflections	11942	135	907
<I/σ(I)>	19.68	32.17	6.95
Completeness [%]	100.0	99.3	100
Redundancy	10.02	8.815	9.272
CC(1/2)	0.998	0.993	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	MOPS (pH 7.0), Spermine, MPD, KNO3