1XUW

Structural rationalization of a large difference in RNA affinity despite a small difference in chemistry between two 2'-O-modified nucleic acid analogs

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	110
Detector technology	CCD
Collection date	2002-11-01
Detector	MARRESEARCH
Wavelength(s)	0.96297
Spacegroup name	P 21 21 21
Unit cell lengths	24.599, 44.876, 46.305
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.250
R-factor	0.153
Rwork	0.153
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dpl
RMSD bond length	0.011
RMSD bond angle	0.020
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.290
High resolution limit [Å]	1.250	1.250
Rmerge	0.077	0.254
Number of reflections	14402
Completeness [%]	97.4	96
Redundancy	2.6	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	1mM 10mer, 40mM sodium cacodylate, 12 mM spermine 4HCl, 80mM potassium chloride, 10% MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K