3CRD
NMR STRUCTURE OF THE RAIDD CARD DOMAIN, 15 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY (1H | TRIS | 8.0 | 298 | ||||
| 2 | 13C | TRIS | 8.0 | 298 | ||||
| 3 | 15N) | TRIS | 8.0 | 298 | ||||
| 4 | 15N TOCSY-HSQC | TRIS | 8.0 | 298 | ||||
| 5 | 2D TOCSY | TRIS | 8.0 | 298 | ||||
| 6 | HCCHTOCSY | TRIS | 8.0 | 298 | ||||
| 7 | HNCA | TRIS | 8.0 | 298 | ||||
| 8 | HN(CO)CA | TRIS | 8.0 | 298 | ||||
| 9 | HNCACB | TRIS | 8.0 | 298 | ||||
| 10 | HN(CO)CACB | TRIS | 8.0 | 298 | ||||
| 11 | HNCO | TRIS | 8.0 | 298 | ||||
| 12 | HN(CA)CO | TRIS | 8.0 | 298 | ||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITYPLUS750 | 750 |
| 2 | Varian | UNITY500 | 500 |
| 3 | Varian | UNITYPLUS500 | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| molecular dynamics | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION AND LOWEST ENERGY |
| Conformers Calculated Total Number | 20 |
| Conformers Submitted Total Number | 15 |
| Representative Model | 3 (n/a) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.851 | BRUNGER |
| 2 | structure solution | X-PLOR | 3.851 | |
