3E9W
X-Ray Crystal Structure of the hexamer DCACACG:Crystal grown in the presence of cobalt(III)hexammine Chloride.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-10-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 17.854, 43.440, 17.847 |
| Unit cell angles | 90.00, 119.87, 90.00 |
Refinement procedure
| Resolution | 14.580 - 2.050 |
| R-factor | 0.23663 |
| Rwork | 0.235 |
| R-free | 0.26375 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Fiber model of Z-DNA |
| RMSD bond length | 0.042 |
| RMSD bond angle | 6.407 |
| Data reduction software | AUTOMAR |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.130 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.027 | 0.198 |
| Number of reflections | 1384 | |
| <I/σ(I)> | 11.7 | 2.5 |
| Completeness [%] | 92.1 | 94.5 |
| Redundancy | 2.73 | 2.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.99 | 300 | cobalt(III)hexammine chloride,spermine and 50% MPD, pH 6.99, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | cobalt(III)hexammine chloride | ||
| 2 | 1 | 1 | spermine | ||
| 3 | 1 | 1 | MPD | ||
| 4 | 1 | 2 | cobalt(III)hexammine chloride | ||
| 5 | 1 | 2 | MPD |
