2G92
Crystal Structure Analysis of the RNA Dodecamer CGC-(NF2)-AAUUAGCG, with an Incorporated 2,4-Difluorotoluyl Residue (NF2)
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 | 2004-11-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.992 |
| Spacegroup name | P 31 |
| Unit cell lengths | 28.614, 28.614, 63.171 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.780 - 1.610 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Model of native A-RNA |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.066 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.800 | 1.660 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.054 | 0.530 |
| Number of reflections | 7538 | |
| Completeness [%] | 1.0 | 0.969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | Final droplet composition: 0.5 mM oligonucleotide, 5% MPD, 20 mM sodium cacodylate, pH 5.5, 10 mM cobalt hexamine, 20 mM LiCl and 10 mM MgCl2., VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 10 | 1 | 2 | LiCl | ||
| 11 | 1 | 2 | MgCl2 | ||
| 12 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | cobalt hexamine | ||
| 4 | 1 | 1 | LiCl | ||
| 5 | 1 | 1 | MgCl2 | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | sodium cacodylate | ||
| 9 | 1 | 2 | cobalt hexamine |
