5DO5
Crystal Structure of 2'-Fluoro-RNA bearing a phosphorodithioate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-03 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 41.237, 34.366, 31.976 |
Unit cell angles | 90.00, 127.50, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.200 |
Rwork | 0.190 |
R-free | 0.22970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID:2Q1R |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | SHELX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.240 |
High resolution limit [Å] | 1.200 | 2.590 | 1.200 |
Rmerge | 0.069 | 0.053 | 0.293 |
Rmeas | 0.077 | 0.060 | 0.361 |
Rpim | 0.032 | 0.026 | 0.209 |
Total number of observations | 62980 | ||
Number of reflections | 11122 | ||
<I/σ(I)> | 11.6 | ||
Completeness [%] | 99.3 | 99.6 | 94 |
Redundancy | 5.7 | 6.2 | 2.6 |
CC(1/2) | 0.995 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | sodium cacodylate, pH 6.0, 40 mM sodium chloride, 10 mM magnesium chloride, 6 mM spermine tetrahydrochloride, and 5% v/v MPD |