1Z3F
Structure of ellipticine in complex with a 6-bp DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID13 |
| Synchrotron site | ESRF |
| Beamline | ID13 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2004-06-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 65 |
| Unit cell lengths | 24.860, 24.860, 78.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 16.660 - 1.500 |
| R-factor | 0.2217 |
| Rwork | 0.220 |
| R-free | 0.24166 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.505 |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.660 | 1.540 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 4420 | |
| Completeness [%] | 99.6 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | MPD, sodium cacodylate, cobalt hexammine, sodium chloride, potassium chloride, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 10 | 1 | 2 | potassium chloride | ||
| 11 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | sodium cacodylate | ||
| 3 | 1 | 1 | cobalt hexamine | ||
| 4 | 1 | 1 | sodium chloride | ||
| 5 | 1 | 1 | potassium chloride | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | MPD | ||
| 8 | 1 | 2 | sodium cacodylate | ||
| 9 | 1 | 2 | cobalt hexamine |
