1NAB
The crystal structure of the complex between a disaccharide anthracycline and the DNA hexamer d(CGATCG) reveals two different binding sites involving two DNA duplexes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-27 |
Detector | MARRESEARCH |
Wavelength(s) | 1.03 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 37.813, 37.813, 63.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.150 |
R-factor | 0.226 |
Rwork | 0.224 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.130 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | NUCLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 8.000 * | 2.170 |
High resolution limit [Å] | 2.150 | 2.150 * |
Rmerge | 0.118 | 0.531 * |
Number of reflections | 2621 * | |
<I/σ(I)> | 5.4 | |
Completeness [%] | 95.4 | 75.6 |
Redundancy | 10.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 4 * | magnesium chloride, cacodylate, spermine hydrochloride, MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | magnesium chloride | ||
2 | 1 | 1 | cacodylate | ||
3 | 1 | 1 | spermine hydrochloride | ||
4 | 1 | 1 | MPD | ||
5 | 1 | 2 | magnesium chloride | ||
6 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium cacodylate | 40 (mM) | pH6.5 |
2 | 1 | drop | DNA | 0.9 (mM) | |
3 | 1 | drop | 4.2 (mM) | ||
4 | 1 | drop | spermine hydrocloride | 8.3 (mM) | |
5 | 1 | drop | MEN 10755 | 2 (mM) | |
6 | 1 | drop | 20%(by vol) | ||
7 | 1 | reservoir | MPD | 60 (%) |