2Q1O
Crystal Structure Analysis of the RNA Dodecamer CGC-NF2-AAUUGGCG, with an Incorporated 2,4-Difluorotoluyl Residue (NF2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2005-11-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9199 |
| Spacegroup name | P 1 |
| Unit cell lengths | 22.900, 32.060, 42.930 |
| Unit cell angles | 96.24, 83.87, 93.91 |
Refinement procedure
| Resolution | 10.000 - 1.100 |
| R-factor | 0.11 |
| Rwork | 0.108 |
| R-free | 0.14200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Model of Native A-RNA |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.450 | 1.140 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.059 | 0.239 |
| Number of reflections | 45791 | |
| Completeness [%] | 93.9 | 90.7 |
| Redundancy | 3.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | Droplets containing 0.5 mM oligonucleotide, 0.8 M ammonium sulfate, 0.05 M MES, pH 6.0, were equilibrated against a reservoir of 1.6 M ammonium sulfate, 0.1 M MES, pH 6.0. , VAPOR DIFFUSION, SITTING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | 0.8 M ammonium sulfate | ||
| 2 | 1 | 1 | 0.05 M MES | ||
| 3 | 1 | 2 | 1.6 M ammonium sulfate | ||
| 4 | 1 | 2 | 0.1 M MES |
