7OUO

Crystal structure of RNA duplex [UCGUGCGA]2 in complex with Ba2+ cation

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	H 3 2
Unit cell lengths	44.003, 44.003, 122.312
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.383 - 2.212
Rwork	0.234
R-free	0.28570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	model generated by Coot
RMSD bond length	0.000
RMSD bond angle	1.584
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.350
High resolution limit [Å]	2.210	2.210
Rmerge	0.040	1.120
Rmeas	0.045	1.240
Number of reflections	2460	386
<I/σ(I)>	17.3	1.9
Completeness [%]	99.5
Redundancy	5.7
CC(1/2)	1.000	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	The crystal of the r(UCGUGCGA)2 duplex was obtained in the presence of its complementary strand UCGCACGA. The crystals grew in the 12th condition of nucleic acid mini-screen from Hampton (10% MPD, 0.040 M Sodium cacodylate trihydrate pH 6.0, 0.012 M Spermine tetrahydrochloride, 0.08M M Potassium chloride, 0.02M M Barium chloride) and further cryoprotected by 35% of MPD.