9RXU
RAPTA-C (Ruthenium[II]-cymene-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 X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2009-12-15 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.5 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.350, 109.860, 182.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.100 - 2.300 |
| Rwork | 0.227 |
| R-free | 0.25560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.412 |
| 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] | 94.100 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 92229 | 11046 |
| <I/σ(I)> | 8.6 | |
| Completeness [%] | 96.5 | |
| Redundancy | 4.8 | |
| CC(1/2) | 0.994 | 0.576 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 55 mM KCl, 85 mM MnCl2, 20 mM K-Cacodylate (pH 6.0) |
