7EDV

DNA duplex containing C-G-Au-C base triple

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	38.595, 38.595, 46.688
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.180 - 2.010
R-factor	0.1672
Rwork	0.164
R-free	0.19100
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AutoSol
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.180	27.180	2.060
High resolution limit [Å]	2.010	8.980	2.010
Rmerge	0.054	0.033	0.290
Rmeas	0.057	0.035	0.306
Total number of observations	52884
Number of reflections	5183	60	354
<I/σ(I)>	27.74	50.92	9.1
Completeness [%]	100.0	96.8	100
Redundancy	10.203	10.85	10.155
CC(1/2)	0.999	1.000	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium cacodylate, MPD, spermine tetrahydrochloride, lithium chloride