2Q1R
Crystal Structure Analysis of the RNA Dodecamer CGCGAAUUAGCG, with a G-A mismatch.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2004-03-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9790 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 41.339, 34.886, 32.118 |
| Unit cell angles | 90.00, 129.32, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.120 |
| R-factor | 0.144 |
| Rwork | 0.142 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | A native A-RNA |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.031 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.840 | 1.160 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.035 | 0.277 |
| Number of reflections | 13280 | |
| Completeness [%] | 96.4 | 89.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | Droplets containing 0.5 mM oligonucleotide, 5% MPD, 20 mM sodium cacodylate, pH 7.0, 6 mM spermine-4HCl, 40 mM sodium chloride and 10 mM magnesium chloride were equilibrated against a reservoir of 35% MPD., VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | 5% MPD | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | spermine-4HCl | ||
| 4 | 1 | 1 | sodium chloride | ||
| 5 | 1 | 1 | magnesium chloride | ||
| 6 | 1 | 2 | 35% MPD |
