3P4C

Alternatingly modified 2'Fluoro RNA octamer f/rA2U2-R32

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.7687
Spacegroup name	H 3 2
Unit cell lengths	40.550, 40.550, 117.222
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.150
R-factor	0.182
Rwork	0.182
R-free	0.24900
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	0.027
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL2Map
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.095	0.408
Number of reflections	13343
<I/σ(I)>	50.1	2.43
Completeness [%]	97.9	72.9
Redundancy	15.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	Sodium cacodylate (40 mM, pH 6.0), lithium chloride (40 mM), strontium chloride (80 mM), spermine tetrahydrochloride (12 mM), and 2-methyl-2,4-pentanediol (MPD; 10% (v/v)), equilibrated against a reservoir of MPD (1 mL, 35%) , VAPOR DIFFUSION, HANGING DROP, temperature 291K