4Z4B
2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2013-11-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9567 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.858, 40.797, 64.538 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.485 - 1.965 |
| R-factor | 0.1727 |
| Rwork | 0.168 |
| R-free | 0.21070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Unpublished model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.829 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.800 | 2.010 |
| High resolution limit [Å] | 1.965 | 1.965 |
| Rmerge | 0.043 | 0.313 |
| Number of reflections | 8900 | |
| <I/σ(I)> | 20.8 | 4.1 |
| Completeness [%] | 98.7 | 90.2 |
| Redundancy | 6.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | The hanging drops contained the following constituents (final drop concentrations): DNA 0.63 mM, Ligand 1 0.63 mM, MgCl2 2.1 mM, spermine 1.05 mM, MPD 4.2%. MgCl2 and spermine were made in 30 mM sodium cacodylate buffer at pH 7.0 |
