4BF8
Fpr4 PPI domain
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 1H | 10% WATER/90% D2O, 100% D2O | 150 mM | 6.5 | 1.0 atm | 292.0 | ||
| 2 | 15N-NOESY (120MS MIXING TIME) | 10% WATER/90% D2O, 100% D2O | 150 mM | 6.5 | 1.0 atm | 292.0 | ||
| 3 | 1H | 10% WATER/90% D2O, 100% D2O | 150 mM | 6.5 | 1.0 atm | 292.0 | ||
| 4 | 15N-TROSY (RDC) | 10% WATER/90% D2O, 100% D2O | 150 mM | 6.5 | 1.0 atm | 292.0 | ||
| 5 | 1H | 10% WATER/90% D2O, 100% D2O | 150 mM | 6.5 | 1.0 atm | 292.0 | ||
| 6 | 13C-NOESY (120 MS MIXING TIME) | 10% WATER/90% D2O, 100% D2O | 150 mM | 6.5 | 1.0 atm | 292.0 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 800 |
| 2 | Bruker | AVANCE | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| ARIA1.2 | CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST ENERGY |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 12 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | STRUCTURE CALCULATION USED A COMBINATION OF DISTANCE RESTRAINTS (UNAMBIGUOUS AND AMBIGUOUS), DIHEDRAL ANGLE RESTRAINTS, HYDROGEN-BOND RESTRAINTS AND RESIDUAL DIPOLAR COUPLING RESTRAINTS |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ, RICE,SIMONSON,WARREN | |
| 2 | structure solution | NMRPipe | ||
| 3 | structure solution | Sparky | ||
