2L2E
Solution NMR structure of myristoylated NCS1p in apo form
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-15N HSQC | 0.7 mM [U-95% 13C; U-95% 15N] Ncs1p, 0.7 mM [U-98% 15N] Ncs1p | 90% H2O/10% D2O | 0.02 | 7.0 | ambient | 310 | |
| 2 | 3D HNCO | 0.7 mM [U-95% 13C; U-95% 15N] Ncs1p, 0.7 mM [U-98% 15N] Ncs1p | 90% H2O/10% D2O | 0.02 | 7.0 | ambient | 310 | |
| 3 | 3D HNCACB | 0.7 mM [U-95% 13C; U-95% 15N] Ncs1p, 0.7 mM [U-98% 15N] Ncs1p | 90% H2O/10% D2O | 0.02 | 7.0 | ambient | 310 | |
| 4 | 3D HBHA(CO)NH | 0.7 mM [U-95% 13C; U-95% 15N] Ncs1p, 0.7 mM [U-98% 15N] Ncs1p | 90% H2O/10% D2O | 0.02 | 7.0 | ambient | 310 | |
| 5 | 3D CBCA(CO)NH | 0.7 mM [U-95% 13C; U-95% 15N] Ncs1p, 0.7 mM [U-98% 15N] Ncs1p | 90% H2O/10% D2O | 0.02 | 7.0 | ambient | 310 | |
| 6 | 3D HCCH-TOCSY | 0.7 mM [U-95% 13C; U-95% 15N] Ncs1p, 0.7 mM [U-98% 15N] Ncs1p | 90% H2O/10% D2O | 0.02 | 7.0 | ambient | 310 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | Avance | 600 |
| 2 | Bruker | Avance | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DGSA-distance geometry simulated annealing | NMRPipe | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 40 |
| Conformers Submitted Total Number | 15 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
| 2 | structure solution | X-PLOR_NIH | Schwieters, Kuszewski, Tjandra and Clore | |
| 3 | refinement | X-PLOR_NIH | Schwieters, Kuszewski, Tjandra and Clore | |
