1XNR
Crystal Structure of an Inosine-Cytosine Wobble Base Pair in the Context of the Decoding Center
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-04-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 401.122, 401.122, 175.899 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.000 - 3.100 |
| R-factor | 0.235 |
| Rwork | 0.227 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | empty 30S |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.207 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 257063 | |
| <I/σ(I)> | 14.35 | 2.54 |
| Completeness [%] | 96.5 | 91.8 |
| Redundancy | 22.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | MPD, magnesium chloride, potassium chloride, ammonium chloride, MES-KOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 10 | 1 | 2 | ammonium chloride | ||
| 2 | 1 | 1 | magnesium chloride | ||
| 3 | 1 | 1 | potassium chloride | ||
| 4 | 1 | 1 | ammonium chloride | ||
| 5 | 1 | 1 | MES-KOH | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | magnesium chloride | ||
| 9 | 1 | 2 | potassium chloride |
