1F7E
THE FIRST EGF-LIKE DOMAIN FROM HUMAN BLOOD COAGULATION FVII, NMR, 20 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | DQF-COSY | 400mM | 5.5 | 1 atm | 298 | |||
| 2 | 2Q | 400mM | 5.5 | 1 atm | 298 | |||
| 3 | TOCSY | 400mM | 5.5 | 1 atm | 298 | |||
| 4 | NOESY | 400mM | 5.5 | 1 atm | 298 | |||
| 5 | 1H-15N HSQC | 400mM | 5.5 | 1 atm | 298 | |||
| 6 | 3D 1H-15N NOESY-HSQC | 400mM | 5.5 | 1 atm | 298 | |||
| 7 | 3D 1H-15N TOCSY-HSQC | 400mM | 5.5 | 1 atm | 298 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA 500 | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| HYBRID DISTANCE GEOMETRY - SIMULATED ANNEALING | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION AND LOWEST XPLOR ENERGY |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Additional NMR Experimental Information | |
|---|---|
| Details | DETAILS ARE INCLUDED IN THE PUBLICATION. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.851 | BRUNGER |
| 2 | structure solution | Felix | ||
| 3 | structure solution | X-PLOR | ||
