3MNN
A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts in the Nucleosome Core
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 | 94.130 - 2.500 |
| R-factor | 0.24809 |
| Rwork | 0.247 |
| R-free | 0.27704 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nzd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.475 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.130 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.061 | 0.484 |
| Number of reflections | 74426 | |
| <I/σ(I)> | 9.7 | 1.7 |
| Completeness [%] | 99.7 | 98.2 |
| Redundancy | 4.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 291 | 55mM KCl, 85mM MnCl2, 20mM K-Cacodylate, pH 6, VAPOR DIFFUSION, temperature 291K |
