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Starting model (for MR) | Unpublished model |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 |