NMR structure of d(CCAAAGXACTGGG), X is a 3'phosphoglycolate, 5'phosphate gapped lesion
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | PECOSY | 1.4 mM oligonucleotide | 40 mM NaH2PO4 | 6.9 | 1.0 atm | 293.15 | ||
| 2 | TOCSY | 1.4 mM oligonucleotide | 40 mM NaH2PO4 | 6.9 | 1.0 atm | 293.15 | ||
| 3 | NOESY | 1.4 mM oligonucleotide | 40 mM NaH2PO4 | 6.9 | 1.0 atm | 293.15 | ||
| 4 | HSQC | 1.4 mM oligonucleotide | 40 mM NaH2PO4 | 6.9 | 1.0 atm | 293.15 | ||
| 5 | GE-HSQC | 1.4 mM oligonucleotide | 40 mM NaH2PO4 | 6.9 | 1.0 atm | 293.15 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | custom build | 500 | |
| 2 | custom build | 600 | |
| 3 | custom build | 750 | |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| CONJUGATE GRADIENT MINIMIZATION | X-PLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | MINIMUM RMSD AND NMR CONSTRAINTS VIOLATION |
| Conformers Calculated Total Number | 10 |
| Conformers Submitted Total Number | 1 |
| Representative Model | (minimized average structure) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.851 | Brunger |
| 2 | structure solution | X-PLOR | 3.851 | Brunger |
