SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | DOUBLE | 100mM NACL | 6.5 | 1 atm | 303 | |||
| 2 | TRIPLE RESONANCE EXPERIMENTS | 100mM NACL | 6.5 | 1 atm | 303 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| RANDOM SIMULATED ANNEALING | SIMULATED ANNEALING REFINEMENT | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST TARGET FUNCTION VALUES |
| Conformers Calculated Total Number | 140 |
| Conformers Submitted Total Number | 30 |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED HUMAN RAD51(1-114). |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.851 | BRUNGER |
| 2 | structure solution | X-PLOR | ||
