3EY0
A new form of DNA-drug interaction in the minor groove of a coiled coil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 104 |
| Detector technology | CCD |
| Collection date | 2008-04-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 27.789, 27.789, 311.950 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.520 |
| R-factor | 0.22193 |
| Rwork | 0.216 |
| R-free | 0.27715 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | standard watson-crick DNA |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.644 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.098 | 0.212 |
| Number of reflections | 2899 | |
| <I/σ(I)> | 37.625 | 15.75 |
| Completeness [%] | 94.7 | 100 |
| Redundancy | 15.8 | 18.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 278.15 | 20 mM MgCl2, 50 mM MES, 15% Isopropanol, 3.62 mM ds-DNA, 16.86 mM PNT, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278.15K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MgCl2 | ||
| 2 | 1 | 1 | MES | ||
| 3 | 1 | 1 | Isopropanol | ||
| 4 | 1 | 1 | ds-DNA | ||
| 5 | 1 | 1 | PNT | ||
| 6 | 1 | 2 | MgCl2 | ||
| 7 | 1 | 2 | MES | ||
| 8 | 1 | 2 | Isopropanol | ||
| 9 | 1 | 2 | PNT |
