7Y8P

Crystal structure of 4'-selenoRNA duplex

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	2017-12-23
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.1
Spacegroup name	P 1 21 1
Unit cell lengths	26.951, 38.107, 31.882
Unit cell angles	90.00, 113.47, 90.00

Refinement procedure

Resolution	29.250 - 1.500
R-factor	0.1634
Rwork	0.160
R-free	0.19860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ay2
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.250	29.250	1.540
High resolution limit [Å]	1.500	6.700	1.500
Rmerge	0.080	0.053	0.281
Rmeas	0.095	0.064	0.336
Total number of observations	62087
Number of reflections	18427	200	1312
<I/σ(I)>	11.18	21.16	4.24
Completeness [%]	98.5	94.8	96.8
Redundancy	3.369	3.225	3.317
CC(1/2)	0.994	0.994	0.946

Crystallization Conditions

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