4XW1

Crystal structure of (GCCU(G-LNA)CCUG)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	2013-07-27
Detector	MAR CCD 165 mm
Wavelength(s)	0.9184
Spacegroup name	P 43 2 2
Unit cell lengths	26.031, 26.031, 80.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.302
R-factor	0.191
Rwork	0.191
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3glp
RMSD bond length	0.007
RMSD bond angle	1.783
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.051	0.657
Number of reflections	1458
<I/σ(I)>	34.9	2.55
Completeness [%]	97.6	85.5
Redundancy	10.3	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	10 mM magnesium acetate, sodium cacodylate and 1.3 M Li2SO4.