485D

A SULFATE POCKET FORMED BY THREE GOU PAIRS IN THE STRUCTURE OF A NONAMERIC RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	110
Detector technology	AREA DETECTOR
Spacegroup name	H 3
Unit cell lengths	39.958, 39.958, 67.445
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 0.970
R-factor	0.1503
Rwork	0.149
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	0.018
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	0.990
High resolution limit [Å]	0.970	0.970
Rmerge	0.041	0.446
Total number of observations	140902 *
Number of reflections	23838
Completeness [%]	99.8	99.9
Redundancy	5.91	2.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	310	2.2-2.6 M AMMONIUM SULFATE, 5-50 MM MAGNESIUM SULFATE, 50 MM SODIUM CACODYLATE, 1MM SPERMINE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 310K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	(NH4)2SO4
2	1	1	MGSO4
3	1	1	SODIUM CACODYLATE,
4	1	1	SPERMINE
5	1	2	(NH4)2SO4
6	1	2	MGSO4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	RNA	10 (mg/ml)
2	1	drop		5 (mM)
3	1	drop	sodium cacodylate	10 (mM)
4	1	reservoir	ammonium sulfate	2.2-2.6 (M)
5	1	reservoir	sodium cacodylate	50 (mM)
6	1	reservoir	spermine	1 (mM)