Relationship of Solution and Protein-Bound Structures of DNA Duplexes with the Major Intrastrand Cross-Link Lesions Formed on Cisplatin Binding to DNA
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | Platinated 9-mer duplex dissolved in D2O/H2O | D2O or (90% H2O, 10% D2O) | 7.0 | 1 atm | 278 | ||
| 2 | DQF-COSY | Platinated 9-mer duplex dissolved in D2O/H2O | D2O or (90% H2O, 10% D2O) | 7.0 | 1 atm | 278 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | GE | OMEGA | 600 |
| 2 | Varian | UNITYPLUS | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| AMBER | NOE-Restrained refinement (details can be found in the paper) | Felix |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | |
| Conformers Calculated Total Number | |
| Conformers Submitted Total Number | 1 |
| Additional NMR Experimental Information | |
|---|---|
| Details | 2D 1H-31P phase-sensitive Reverse Chemical Shift Correlation (RCSC) and 1H-13C magnitude mode HMQC experiments were performed. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | Felix | 97.0 | |
| 2 | refinement | Discover | Biosym/MSI | |
| 3 | structure solution | Insight II | ||
| 4 | data analysis | Curves | ||
| 5 | refinement | IRMA | Biosym/MSI | |
