1E88
Solution structure of 6F11F22F2, a compact three-module fragment of the gelatin-binding domain of human fibronectin
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D [1H-1H] NOESY (60MS MIXIMG TIME) | 2MM 6F11F22F2, 20MM PHOSPHATE BUFFER | 4.5 | 298 | ||||
| 2 | 3D [1H-15N] NOESY (60MS MIXING TIME) | 2MM 6F11F22F2, 20MM PHOSPHATE BUFFER | 4.5 | 298 | ||||
| 3 | HMQC-J. | 2MM 6F11F22F2, 20MM PHOSPHATE BUFFER | 4.5 | 298 | ||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Home-built | 750 | |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| AB INITIO SIMULATED ANNEALING | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. | CNS |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 10 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED BY HETERONUCLEAR NMR SPECTROSCOPY ON UNIFORMLY 15N-LABELED 6F11F22F2. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 0.9 | BRUNGER ET AL. |
| 2 | structure solution | Felix | 2.3 | |
| 3 | structure solution | NMRView | ||
| 4 | structure solution | CNS | ||
