9T8F
Crystal structure of trabectedin bound to 10-mer duplex DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 26.078, 40.942, 234.506 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.900 - 2.400 |
| Rwork | 0.226 |
| R-free | 0.28560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.972 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.105)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.900 | 2.600 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.072 | 1.150 |
| Rmeas | 0.085 | 1.345 |
| Rpim | 0.043 | 0.691 |
| Number of reflections | 10587 | 4654 |
| <I/σ(I)> | 7 | |
| Completeness [%] | 99.2 | 99.53 |
| Redundancy | 3.8 | 3.7 |
| CC(1/2) | 0.998 | 0.662 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.35 | 295 | MPD, potassium chloride, lithium chloride, spermine |
