165D

THE STRUCTURE OF A MISPAIRED RNA DOUBLE HELIX AT 1.6 ANGSTROMS RESOLUTION AND IMPLICATIONS FOR THE PREDICTION OF RNA SECONDARY STRUCTURE

Experimental procedure

Source type	SYNCHROTRON
Source details	LURE
Synchrotron site	LURE
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	53.800, 19.400, 50.140
Unit cell angles	90.00, 109.90, 90.00

Refinement procedure

Resolution	10.000 - 1.600 *
R-factor	0.18
Rwork	0.180
RMSD bond length	0.011 *
RMSD bond angle	0.028 *
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	1.600
Number of reflections	6093

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	4 *	pH 6.30, VAPOR DIFFUSION, SITTING DROP, temperature 277.00K
1	VAPOR DIFFUSION, SITTING DROP	6.3	4 *	pH 6.30, VAPOR DIFFUSION, SITTING DROP, temperature 277.00K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
2	1	1	LI CACODYLATE
3	1	1	[RH(NH3)6]CL3

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	40 (%)
2	1	drop	nonamer	0.1 (mg)
3	1	drop	lithium cacodylate	20 (mM)
4	1	drop		6-10 (mM)	can be replaced by Ir(NH3)6Cl3