2CRE
Solution structure of RSGI RUH-036, an SH3 domain from human cDNA
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-separated_NOESY | 1.51mM Domain U 15N 13C; 20mM d-Tris-HCl (pH7.0); 100mM NaCl; 1mM d-DTT; 0.025mM NaN3; 10% D2O | 90% H2O/10% D2O | 120mM | 7.0 | ambient | 298 | |
| 2 | 3D_13C-separated_NOESY | 1.51mM Domain U 15N 13C; 20mM d-Tris-HCl (pH7.0); 100mM NaCl; 1mM d-DTT; 0.025mM NaN3; 10% D2O | 90% H2O/10% D2O | 120mM | 7.0 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | VNMR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | target function, structures with the lowest energy, structures with the least restraint violations |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | collection | VNMR | 6.1c | Varian |
| 2 | processing | NMRPipe | 20031121 | Delaglio, F. |
| 3 | data analysis | NMRView | 5.0.4 | Johnson, B.A. |
| 4 | data analysis | KUJIRA | 0.9295 | Kobayashi, N. |
| 5 | refinement | CYANA | 2.0.17 | Guntert, P. |
