2VB5
Solution structure of W60G mutant of human beta2-microglobulin
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | TOCSY | 95% WATER/5% D2O | 100 mM | 6.6 | 1.0 atm | 310.0 | ||
| 2 | NOESY | 95% WATER/5% D2O | 100 mM | 6.6 | 1.0 atm | 310.0 | ||
| 3 | DQF-COSY | 95% WATER/5% D2O | 100 mM | 6.6 | 1.0 atm | 310.0 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | Discover | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 300 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | NONE |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Discover | 2000 | MSI |
| 2 | structure solution | Felix | ||
| 3 | structure solution | CYANA | ||
| 4 | structure solution | Discover | ||
