1EMO
NMR STUDY OF A PAIR OF FIBRILLIN CA2+ BINDING EPIDERMAL GROWTH FACTOR-LIKE DOMAINS, 22 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 1H-NOESY | 6.5 | 308 | |||||
| 2 | COSY | 6.5 | 308 | |||||
| 3 | TOCSY | 6.5 | 308 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | GE | OMEGA | 500 |
| 2 | Bruker | AM | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | X-PLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | F(NOE) < 165 KJ MOL-1 TORSION ANGLE CONSTRAINTS VIOLATED BY > 3 DEGREES |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 22 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.1 | BRUNGER |
| 2 | structure calculation | X-PLOR | 3.1 | BRUNGER |
