4XW0

Crystal structure of (GCCU(G-LNA)CCUGC)2 duplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-07
Detector	MAR CCD 165 mm
Wavelength(s)	0.91841
Spacegroup name	P 43
Unit cell lengths	26.910, 26.910, 80.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.910 - 1.810
R-factor	0.2298
Rwork	0.224
R-free	0.29840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3glp
RMSD bond length	0.007
RMSD bond angle	1.497
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000	1.920
High resolution limit [Å]	1.810	1.810
Rmerge	0.057	1.355
Number of reflections	5249
<I/σ(I)>	17.66	1.96
Completeness [%]	99.6	99.1
Redundancy	6.7	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	40 mM magnesium sulphate, HEPES and 1.3 M lithium sulphate