1P79

Crystal structure of a bulged RNA tetraplex: implications for a novel binding site in RNA tetraplex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2001-08-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.8985
Spacegroup name	P 4 21 2
Unit cell lengths	35.014, 35.014, 22.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.100
R-factor	0.12733
Rwork	0.127
R-free	0.13600 *
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.550	1.140
High resolution limit [Å]	1.100	1.100
Rmerge	0.037 *	0.088 *
Total number of observations	206863 *
Number of reflections	10280 *
<I/σ(I)>	23
Completeness [%]	95.3	71.9
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	spermine, potassium chloride, MPD, cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	spermine
2	1	1	potassium chloride
3	1	1	MPD
4	1	1	cacodylate
5	1	2	potassium chloride
6	1	2	MPD

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium cacodylate	40 (mM)	pH6.0
2	1	drop	spermine tetrahydrochloride	12 (mM)
3	1	drop		80 (mM)
4	1	drop	MPD	10 (%(v/v))
5	1	drop		50 (mM)
6	1	reservoir		10 (%)