5NS4

Crystal structures of Cy3 cyanine fluorophores stacked onto the end of double-stranded RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2013-06-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979601
Spacegroup name	P 21 21 2
Unit cell lengths	93.757, 122.432, 51.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.880 - 2.400
R-factor	0.261
Rwork	0.260
R-free	0.28300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mji
RMSD bond length	0.013
RMSD bond angle	1.531
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.880	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.100	0.162
Rmeas	0.114	0.183
Number of reflections	23654	2309
<I/σ(I)>	12.48	6.26
Completeness [%]	100.0	100
Redundancy	4.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	50 mM sodium cacodylate at pH 6.5, 100 mM Mg(CH3COO)2, 50 mM KF, 15% PEG 8000 drop