1XAM
Cobalt hexammine induced tautameric shift in Z-DNA: structure of d(CGCGCA).d(TGCGCG) in two crystal forms.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-01-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 65 |
| Unit cell lengths | 35.588, 35.588, 44.518 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.860 |
| R-factor | 0.27867 |
| Rwork | 0.273 |
| R-free | 0.34618 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Z-DNA hexamer with terminal base pairs replaced with A-T base pair. |
| RMSD bond length | 0.042 |
| RMSD bond angle | 7.235 |
| Data reduction software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.150 | 0.527 |
| Number of reflections | 2686 | |
| <I/σ(I)> | 2.4 | 1 |
| Completeness [%] | 99.0 | 90.3 |
| Redundancy | 4.64 | 4.34 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | MPD, cacodylate, cobalt 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 | cacodylate | ||
| 3 | 1 | 1 | cobalt hexammine chloride | ||
| 4 | 1 | 1 | spermine | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | MPD | ||
| 7 | 1 | 2 | cacodylate | ||
| 8 | 1 | 2 | H2O |
