3HR3
Interplay of Structure, Hydration and Thermal Stability in Formacetal Modified Oligonucleotides: RNA May Tolerate Hydrophobic Modifications Better than DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-01-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 33.199, 33.199, 68.508 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.880 - 1.750 |
R-factor | 0.23147 |
Rwork | 0.228 |
R-free | 0.28185 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Single strand from the duplex of PDB ID 411D. |
RMSD bond length | 0.022 |
RMSD bond angle | 3.037 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.058 | 0.187 |
Number of reflections | 4006 | |
<I/σ(I)> | 18.7 | |
Completeness [%] | 95.2 | 72.4 |
Redundancy | 17 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | Sodium cacodylate (20 mM, pH 6.0), potassium chloride (40 mM), magnesium chloride (10 mM), spermine tetrahydrochloride (6 mM), and 2-methyl-2,4-pentanediol (MPD 5% v/v) , VAPOR DIFFUSION, HANGING DROP, temperature 291K |