5FRG
The NMR Structure of the Cdc42-interacting region of TOCA1
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 15NHSQC | 90% H2O/10% D2O | 0.15 | 7.4 | 1.0 atm | 298.0 | ||
| 2 | HN(CO)CA | 90% H2O/10% D2O | 0.15 | 7.4 | 1.0 atm | 298.0 | ||
| 3 | HN(CO)CACB | 90% H2O/10% D2O | ||||||
| 4 | HNCA | 90% H2O/10% D2O | ||||||
| 5 | HNCACB | 90% H2O/10% D2O | ||||||
| 6 | HNCO | 90% H2O/10% D2O | ||||||
| 7 | 15NHSQCNOESY | 90% H2O/10% D2O | ||||||
| 8 | NOESY13CHSQC | 90% H2O/10% D2O | ||||||
| 9 | HCCHTOCSY | 90% H2O/10% D2O | ||||||
| 10 | 13CHSQC | 90% H2O/10% D2O | ||||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 500 |
| 2 | Bruker | AVANCE | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| ARIA2.3; CNS 1.2 | ARIA2.3; CNS1.2 | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST ENERGY |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 35 |
| Representative Model | 1 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N TOCA1 HR1 DOMAIN |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | ARIA2.3; CNS1.2 | CNS1.2 | W.RIEPING,M.HABECK,B.BARDIAUX,A.BERNARD,T.E. MALLIAVIN,M.NILGES; A.T.BRUNGER,P.D.ADAMS,G.M.CLORE, W.L.DELANO,P.GROS,R.W.GROSSE-KUNSTLEVE,J.S.JIANG, J.KUSZEWSKI,M.NILGES,N.S.PANNU,R.J.READ,L.M.RICE, T.SIMONSON,G.L.WARREN. |
| 2 | structure solution | ARIA | 2.3 | |
| 3 | structure solution | CcpNmr Analysis | 2.3 | |
| 4 | structure solution | Azara | ||
| 5 | structure solution | CNS | 1.2 | |
