2K8Q
NMR Structure of Shq1p N-terminal domain
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-15N HSQC | 1.0 mM [U-100% 13C; U-100% 15N] Shq1 N-terminus | 90% H2O/10% D2O | 50 | 7.0 | AMBIENT atm | 298 | |
| 2 | 3D CBCA(CO)NH | 1.0 mM [U-100% 13C; U-100% 15N] Shq1 N-terminus | 90% H2O/10% D2O | 50 | 7.0 | AMBIENT atm | 298 | |
| 3 | 3D HNCO | 1.0 mM [U-100% 13C; U-100% 15N] Shq1 N-terminus | 90% H2O/10% D2O | 50 | 7.0 | AMBIENT atm | 298 | |
| 4 | 3D HNCA | 1.0 mM [U-100% 13C; U-100% 15N] Shq1 N-terminus | 90% H2O/10% D2O | 50 | 7.0 | AMBIENT atm | 298 | |
| 5 | 3D HNCACB | 1.0 mM [U-100% 13C; U-100% 15N] Shq1 N-terminus | 90% H2O/10% D2O | 50 | 7.0 | AMBIENT atm | 298 | |
| 6 | 3D HBHA(CO)NH | 1.0 mM [U-100% 13C; U-100% 15N] Shq1 N-terminus | 90% H2O/10% D2O | 50 | 7.0 | AMBIENT atm | 298 | |
| 7 | 3D HCCH-TOCSY | 1.0 mM [U-100% 13C; U-100% 15N] Shq1 N-terminus | 90% H2O/10% D2O | 50 | 7.0 | AMBIENT atm | 298 | |
| 8 | 3D 1H-15N NOESY | 1.0 mM [U-100% 13C; U-100% 15N] Shq1 N-terminus | 90% H2O/10% D2O | 50 | 7.0 | AMBIENT atm | 298 | |
| 9 | 3D 1H-13C NOESY | 1.0 mM [U-100% 13C; U-100% 15N] Shq1 N-terminus | 90% H2O/10% D2O | 50 | 7.0 | AMBIENT atm | 298 | |
| 10 | 2D 1H-1H NOESY | 1.0 mM [U-100% 13C; U-100% 15N] Shq1 N-terminus | 90% H2O/10% D2O | 50 | 7.0 | AMBIENT atm | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 500 |
| 2 | Varian | INOVA | 750 |
| 3 | Varian | INOVA | 600 |
| 4 | Bruker | DMX | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | Sparky | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (fewest violations) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | peak picking | Sparky | 3.110 | Goddard |
| 2 | structure solution | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |
| 3 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
| 4 | data analysis | MOLMOL | 2K.2 | Koradi, Billeter and Wuthrich |
| 5 | data analysis | TALOS | Cornilescu, Delaglio and Bax | |
| 6 | data analysis | ProcheckNMR | Laskowski and MacArthur | |
| 7 | refinement | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |
