8C62
Crystal structure of cisplatin/B-DNA adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-17 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 24.725, 41.001, 66.483 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.170 - 2.310 |
| R-factor | 0.23488 |
| Rwork | 0.231 |
| R-free | 0.26644 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.730 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.170 | 2.350 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Number of reflections | 3221 | 148 |
| <I/σ(I)> | 22 | 2.5 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 12 | 13.1 |
| CC(1/2) | 1.000 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | MPD 7 % v/v, MgCl2 20 mM, spermine tetrahydrochloride 80 mM, sodium cacodylate 60 mM, pH 6.5. Equilibrated against a reservoir containing MPD 50 % v/v |
