1XCS
structure of oligonucleotide/drug complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 120 |
| Wavelength(s) | 0.80000 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 28.659, 53.473, 40.691 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.820 - 1.400 |
| R-factor | 0.19882 |
| Rwork | 0.193 |
| R-free | 0.25091 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.147 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.820 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 6152 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | MPD, barium chloride, cobalt chloride, drug, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | barium chloride | ||
| 3 | 1 | 1 | cobalt chloride | ||
| 4 | 1 | 1 | drug | ||
| 5 | 1 | 2 | MPD | ||
| 6 | 1 | 2 | barium chloride | ||
| 7 | 1 | 2 | cobalt chloride | ||
| 8 | 1 | 2 | drug |
