2KVI
Structure of Nab3 RRM
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D HNCA | 2.5 mM [U-99% 13C; U-99% 15N] RNA-binding protein-1 | 90% H2O/10% D2O | 0.3 | 8 | 1 atm | 303 | |
| 2 | 3D HCACO | 2.5 mM [U-99% 13C; U-99% 15N] RNA-binding protein-1 | 90% H2O/10% D2O | 0.3 | 8 | 1 atm | 303 | |
| 3 | 3D CBCA(CO)NH | 2.5 mM [U-99% 13C; U-99% 15N] RNA-binding protein-1 | 90% H2O/10% D2O | 0.3 | 8 | 1 atm | 303 | |
| 4 | 3D HNCACB | 2.5 mM [U-99% 13C; U-99% 15N] RNA-binding protein-1 | 90% H2O/10% D2O | 0.3 | 8 | 1 atm | 303 | |
| 5 | 2D 1H-13C HSQC | 2.5 mM [U-99% 13C; U-99% 15N] RNA-binding protein-1 | 90% H2O/10% D2O | 0.3 | 8 | 1 atm | 303 | |
| 6 | 3D 1H-13C NOESY | 2.5 mM [U-99% 13C; U-99% 15N] RNA-binding protein-1 | 90% H2O/10% D2O | 0.3 | 8 | 1 atm | 303 | |
| 7 | 3D 1H-15N NOESY | 2.5 mM [U-99% 13C; U-99% 15N] RNA-binding protein-1 | 90% H2O/10% D2O | 0.3 | 8 | 1 atm | 303 | |
| 8 | 3D HNHA | 2.5 mM [U-99% 13C; U-99% 15N] RNA-binding protein-1 | 90% H2O/10% D2O | 0.3 | 8 | 1 atm | 303 | |
| 9 | 3D HCCH-TOCSY | 2.5 mM [U-99% 13C; U-99% 15N] RNA-binding protein-1 | 90% H2O/10% D2O | 0.3 | 8 | 1 atm | 303 | |
| 10 | 2D HB(CB)(CGCD)HD | 2.5 mM [U-99% 13C; U-99% 15N] RNA-binding protein-1 | 90% H2O/10% D2O | 0.3 | 8 | 1 atm | 303 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 600 |
| 2 | Bruker | AVANCE | 900 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics, molecular dynamics | CYANA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 40 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |
| 2 | refinement | Amber | 9.0 | Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm |
| 3 | data analysis | MOLMOL | Koradi, Billeter and Wuthrich | |
| 4 | chemical shift assignment | Sparky | Goddard | |
| 5 | peak picking | Sparky | Goddard | |
| 6 | processing | TopSpin | 2.1 | Bruker Biospin |
| 7 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
