1QCU

CRYSTAL STRUCTURE OF AN 18 BASE PAIR COPY CONTROL RELATED RNA DUPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1997-05-17
Detector	PRINCETON 2K
Spacegroup name	P 3
Unit cell lengths	43.806, 43.806, 29.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.200
R-factor	0.116 *
R-free	0.15000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	A-RNA
RMSD bond length	0.012 *
RMSD bond angle	1.930 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.073	0.274
Number of reflections	18266
<I/σ(I)>	31.8	5.2
Completeness [%]	93.0 *	77 *
Redundancy	4.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	20 *	(NH4)2SO4, SODIUM CACODYLATE, MGCL2, ROP PROTEIN, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	Vapor diffusion *	6.5	20 *	(NH4)2SO4, SODIUM CACODYLATE, MGCL2, ROP PROTEIN, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	(NH4)2SO4
2	1	1	SODIUM CACODYLATE
3	1	1	MGCL2
4	1	1	ROP PROTEIN
5	1	2	(NH4)2SO4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	RNA oligo	1.0 (mM)
2	1	drop	rop protein	1.0 (mM)
3	1	drop	ammonium sulfate	1.05 (M)
4	1	drop	sodium cacodylate	5 (mM)
5	1	drop		1 (mM)
6	1	drop	sodium azide	0.02 (%)
7	1	reservoir	ammonium sulfate	2.1 (M)