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 |