1XCU
oligonucleotid/drug complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.79986 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 29.056, 52.856, 40.084 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.21683 |
| Rwork | 0.213 |
| R-free | 0.25162 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.127 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.035 | 0.101 |
| Number of reflections | 2190 | |
| Redundancy | 16.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | drug, barium chloride, cobalt chloride, MPD, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | drug | ||
| 2 | 1 | 1 | barium chloride | ||
| 3 | 1 | 1 | cobalt choloride | ||
| 4 | 1 | 1 | MPD | ||
| 5 | 1 | 2 | drug | ||
| 6 | 1 | 2 | barium chloride | ||
| 7 | 1 | 2 | cobalt choloride | ||
| 8 | 1 | 2 | MPD |
