2JN6
Solution NMR structure of Protein Cgl2762 from Corynebacterium Glutamicum: Northeast Structural Genomics Consortium Target CgR3
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-15N HSQC | 1.2 mM [U-100% 13C; U-100% 15N] hypothetical protein Cgl2762 | 95% H2O/5% D2O | 100 | 4.5 | ambient | 298 | |
| 2 | 2D 1H-13C HSQC | 1.2 mM [U-100% 13C; U-100% 15N] hypothetical protein Cgl2762 | 95% H2O/5% D2O | 100 | 4.5 | ambient | 298 | |
| 3 | 4,3D GFT HNNCABCA | 1.2 mM [U-100% 13C; U-100% 15N] hypothetical protein Cgl2762 | 95% H2O/5% D2O | 100 | 4.5 | ambient | 298 | |
| 4 | 4,3D GFT CABCACONNH | 1.2 mM [U-100% 13C; U-100% 15N] hypothetical protein Cgl2762 | 95% H2O/5% D2O | 100 | 4.5 | ambient | 298 | |
| 5 | 4,3D GFT HABCABCONNH | 1.2 mM [U-100% 13C; U-100% 15N] hypothetical protein Cgl2762 | 95% H2O/5% D2O | 100 | 4.5 | ambient | 298 | |
| 6 | 4,3D HCCH COSY | 1.2 mM [U-100% 13C; U-100% 15N] hypothetical protein Cgl2762 | 95% H2O/5% D2O | 100 | 4.5 | ambient | 298 | |
| 7 | 3D HCCH-COSY | 1.2 mM [U-100% 13C; U-100% 15N] hypothetical protein Cgl2762 | 95% H2O/5% D2O | 100 | 4.5 | ambient | 298 | |
| 8 | 3D 13C,15N simultaneous NOESY | 1.2 mM [U-100% 13C; U-100% 15N] hypothetical protein Cgl2762 | 95% H2O/5% D2O | 100 | 4.5 | ambient | 298 | |
| 9 | 3D HNCO | 1.2 mM [U-100% 13C; U-100% 15N] hypothetical protein Cgl2762 | 95% H2O/5% D2O | 100 | 4.5 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | CNS | |
| 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 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 1.1 | Brunger, Adams, Clore, Gros, Nilges and Read |
| 2 | data analysis | DYANA | 1.5 | Guntert, Braun and Wuthrich |
| 3 | refinement | CYANA | 2.1 | Guntert, Mumenthaler and Wuthrich |
| 4 | data analysis | AutoStructure | 2.0 | Huang, Swapana, Rajan, Ke, Xia, Shukla, Inouye and Montelione |
| 5 | processing | NMRPipe | 2.3 | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |
| 6 | collection | VNMR | Varian | |
