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. |