11BK
Crystal structure of radiolytically cleaved trabectedin-DNA complex
This is a non-PDB format compatible entry.
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 | 2024-11-02 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.250, 47.178, 51.733 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.000 - 1.800 |
| R-factor | 0.22013 |
| Rwork | 0.219 |
| R-free | 0.24841 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.060 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.073 | |
| Number of reflections | 8933 | 325 |
| <I/σ(I)> | 40 | |
| Completeness [%] | 95.5 | |
| Redundancy | 8.9 | |
| CC(1/2) | 1.000 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | Drop: 10 mM Tris pH 7.5, 5 mM MgCl2, and 2 mM spermine hydrochloride. Reservoir: 19% v/v 2-methyl-2,4-pentanediol in water |
