5AY2

Crystal structure of RNA duplex containing C-Ag(I)-C base pairs

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	2014-11-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	29.480, 46.860, 89.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 1.300
R-factor	0.174
Rwork	0.174
R-free	0.18900
Structure solution method	SAD
RMSD bond length	0.003
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.032	0.210
Number of reflections	31405
<I/σ(I)>	28.02	7.28
Completeness [%]	99.8	98.2
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	MPD, Spermine, Lithium Nitrate, MOPS