9RY3
RAPTA-B (Ruthenium[II]-benzene-phosphaadamantane) cancer drug binding to the nucleosome core
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2012-07-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.682, 110.006, 182.426 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.890 - 2.750 |
| Rwork | 0.220 |
| R-free | 0.26880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.384 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.890 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Number of reflections | 56299 | 7953 |
| <I/σ(I)> | 20.1 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6 | |
| CC(1/2) | 1.000 | 0.447 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 55 mM KCl, 85 mM MnCl2, 20 mM K-Cacodylate (pH 6.0) |
