1BF9
N-TERMINAL EGF-LIKE DOMAIN FROM HUMAN FACTOR VII, NMR, 23 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | COSY | H2O AND D2O | NO SALT ADDED | 5.6 | 1 atm | 298 | ||
| 2 | 2Q | H2O AND D2O | NO SALT ADDED | 5.6 | 1 atm | 298 | ||
| 3 | TOCSY | H2O AND D2O | NO SALT ADDED | 5.6 | 1 atm | 298 | ||
| 4 | NOESY | H2O AND D2O | NO SALT ADDED | 5.6 | 1 atm | 298 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | GE | OMEGA | 500 |
| 2 | Varian | UNITYPLUS | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY EMBEDDING WITHOUT METRIZATION FOLLOWED BY RESTRAINED SIMULATED ANNEALING AND SIMULATED ANNEALING REFINEMENT | X-PLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | NO DISTANCE RESTRAINT VIOLATED BY MORE THAN 0.2 ANGSTROM AND NO DIHEDRAL ANGLE RESTRAINTS VIOLATED BY MORE THAN 2 DEGREES |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 23 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.1 | BRUNGER |
| 2 | structure solution | X-PLOR | ||
