5AY4

Crystal structure of RNA duplex containing C-C base pairs obtained in the presence of Hg(II)

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	2014-12-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	27.000, 44.540, 27.550
Unit cell angles	90.00, 109.10, 90.00

Refinement procedure

Resolution	26.000 - 1.700
Rwork	0.160
R-free	0.19560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ay3
RMSD bond length	0.003
RMSD bond angle	0.839
Data scaling software	XSCALE
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.000		1.750
High resolution limit [Å]	1.700	7.610	1.700
Rmerge	0.088	0.052	0.323
Rmeas	0.096	0.056	0.353
Total number of observations	45309
Number of reflections	6831	81	490
<I/σ(I)>	13.38	26.04	5.58
Completeness [%]	99.5	98.8	96.6

Crystallization Conditions

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