2HTT
Ruthenium Hexammine ion interactions with Z-DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-02-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 65 |
| Unit cell lengths | 35.895, 35.895, 44.604 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.600 |
| R-factor | 0.26665 |
| Rwork | 0.258 |
| R-free | 0.36371 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NDB ENTRY ZD0014 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 2.141 |
| Data reduction software | AUTOMAR |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.160 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.087 | 0.263 |
| Number of reflections | 1207 | |
| <I/σ(I)> | 4.5 | 1.6 |
| Completeness [%] | 93.0 | 94.8 |
| Redundancy | 2.43 | 2.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | MPD, sodium cacodylate, ruthenium hexammine chloride, spermine, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | ruthenium hexammine chloride | ||
| 4 | 1 | 1 | spermine | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | sodium cacodylate | ||
| 8 | 1 | 2 | ruthenium hexammine chloride | ||
| 9 | 1 | 2 | H2O |
