11BJ
Crystal structure of trabectedin-DNA complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 19-ID |
| Synchrotron site | NSLS-II |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-14 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.237, 47.032, 50.331 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.000 - 2.280 |
| R-factor | 0.23903 |
| Rwork | 0.238 |
| R-free | 0.25979 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.011 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.320 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.061 | |
| Number of reflections | 4597 | 210 |
| <I/σ(I)> | 46 | |
| Completeness [%] | 98.5 | 92.9 |
| Redundancy | 9 | |
| CC(1/2) | 0.976 | 0.915 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 10 mM Tris pH 7.5, 5 mM MgCl2, and 2 mM spermine hydrochloride in the drop, incubated against 19% v/v 2-methyl-2,4-pentanediol |
