4JIY

RNA three-way junction stabilized by a supramolecular di-iron(II) cylinder drug

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9999
Spacegroup name	P 21 3
Unit cell lengths	45.745, 45.745, 45.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.410 - 1.910
Rwork	0.224
R-free	0.27090
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	0.027
Data reduction software	XDS
Phasing software	SHELXD
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.745	2.010
High resolution limit [Å]	1.910	1.910
Rmerge	0.020	0.385
Number of reflections	4030
<I/σ(I)>	27.06	2.67
Completeness [%]	99.7	98.7
Redundancy	7.5	0.99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	20% PEG 400, 0.18M MAGNESIUM ACETATE, 0.05M TRIS CHLORIDE, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K. 15% PEG 400, 0.165M MAGNESIUM ACETATE, 0.05M TRIS CHLORIDE, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K
2	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	15% PEG 400, 0.165M MAGNESIUM ACETATE, 0.05M TRIS CHLORIDE, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293.15K