1QDP
SOLUTION STRUCTURE OF ROBUSTOXIN, THE LETHAL NEUROTOXIN FROM THE FUNNEL WEB SPIDER ATRAX ROBUSTUS, NMR, 20 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 5.0 | 279 | |||||
| 2 | TOCSY | 5.0 | 279 | |||||
| 3 | DQF | 5.0 | 279 | |||||
| 4 | AMIDE EXCHANGE | 5.0 | 279 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX-600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| RESTRAINED SIMULATED ANNEALING | RESTRAINED SIMULATED ANNEALING OF DIANA STRUCTURES | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | TOTAL, NOE & DIHEDRAL ENERGY |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 20 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.0 | BRUNGER |
| 2 | structure solution | DYANA/X-PLOR | ||
