SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-1H NOESY | 2 mM no dna | 100% D2O | 115 Na mM | 6.8 | 1 atm | 278 | Varian VXRS 500 |
| 2 | 2D DQF-COSY | 2 mM no dna | 100% D2O | 115 Na mM | 6.8 | 1 atm | 278 | Varian VXRS 500 |
| 3 | 2D 1H-1H NOESY | 2 mM no dna | 90% H2O/10% D2O | 115 Na mM | 6.8 | 1 atm | 278 | Varian VXRS 500 |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | VXRS | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| molecular dynamics | Xplor-NIH | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure calculation | Xplor-NIH | Schwieters, Kuszewski, Tjandra and Clore | |
| 3 | chemical shift assignment | Felix | Accelrys Software Inc. | |
