7EDU

RNA duplex containing C-Au-C base pair

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	2016-11-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03906
Spacegroup name	P 61
Unit cell lengths	29.216, 29.216, 257.794
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.180 - 2.300
R-factor	0.1819
Rwork	0.177
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RNA duplex constructed using Coot
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.180	25.180	2.360
High resolution limit [Å]	2.300	10.280	2.300
Rmerge	0.057	0.020	0.316
Rmeas	0.073	0.024	0.394
Total number of observations	26576
Number of reflections	10301	110	738
<I/σ(I)>	11.1	24.03	2.73
Completeness [%]	94.1	94	93.5
Redundancy	2.58	2.864	2.638
CC(1/2)	0.997	0.999	0.885

Crystallization Conditions

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