5XF4
Nucleosome core particle with an adduct of a binuclear RAPTA (Ru-arene-phosphaadamantane) compound having a 1,2-diphenylethylenediamine linker (S,S-configuration)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 107.760, 109.560, 175.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.423 - 2.870 |
| R-factor | 0.22774 |
| Rwork | 0.227 |
| R-free | 0.26574 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mnn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.413 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.360 | 3.030 |
| High resolution limit [Å] | 2.870 | 2.870 |
| Rmerge | 0.498 | |
| Number of reflections | 48120 | |
| <I/σ(I)> | 15.6 | |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 5.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 35-55 mM MnCl2, 25-49 mM KCl, 20 mM K-Cacodylate pH 6.0 |
