4F2Y

Structure of 3'-Fluoro Cyclohexenyl Nucleic Acid Decamer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	24.775, 38.299, 47.746
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.875 - 1.590
R-factor	0.18694
Rwork	0.182
R-free	0.25331
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ey2
RMSD bond length	0.005
RMSD bond angle	1.365
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.875	1.660
High resolution limit [Å]	1.590	1.590
Rmerge	0.091	0.530
Number of reflections	6416
<I/σ(I)>	59.43	9.8
Completeness [%]	99.5	99.8
Redundancy	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	40 mM sodium cacodylate, 20 mM cobalt hexamine, 40 mM lithium chloride, 20 mM magnesium chloride, 10% v/v MPD, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K