1Z79
Crystal structure of an RNA duplex containing site specific 2'-amine substitution at a C-A mismatch (at pH 5)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-02-14 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 43.000, 43.000, 122.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.080 - 2.550 |
| R-factor | 0.217 |
| Rwork | 0.217 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yrm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.900 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 4904 | |
| <I/σ(I)> | 11.65 | 2.86 |
| Completeness [%] | 98.6 | 100 |
| Redundancy | 14.29 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 273 | MPD, Na cacodylate, spermine, calcium chloride, pH 5.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | Na cacodylate | ||
| 3 | 1 | 1 | spermine | ||
| 4 | 1 | 1 | calcium chloride | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | Na cacodylate | ||
| 8 | 1 | 2 | calcium chloride |
