7EDT

RNA duplex containing CC mispairs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9204
Spacegroup name	P 1
Unit cell lengths	24.296, 24.852, 28.249
Unit cell angles	93.85, 106.02, 103.21

Refinement procedure

Resolution	19.270 - 1.200
R-factor	0.1471
Rwork	0.144
R-free	0.17670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RNA duplex constructed using Coot
Data reduction software	d*TREK
Data scaling software	d*TREK (9.4SSI)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.270	19.270	1.240
High resolution limit [Å]	1.200	2.580	1.200
Rmerge	0.079	0.061	0.261
Rmeas	0.079
Total number of observations	69661	6370	6621
Number of reflections	17973	1705	1766
<I/σ(I)>	10	27.6	3.6
Completeness [%]	93.8	89.1	92.3
Redundancy	3.85	3.61	3.75

Crystallization Conditions

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