1GGW
CDC4P FROM SCHIZOSACCHAROMYCES POMBE
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D HNCACB | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 2 | 3D CBCA(CO)NH | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 3 | 3D C(CO)NH | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 4 | 3D HCCH-TOCSY | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 5 | 3D-15N-TOCSY-HSQC | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 6 | 3D-15N-NOESY-HSQC | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 7 | 3D HNHB | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 8 | 2D-NOESY | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 9 | 2D-COSY | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 10 | 3D HNHA | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 11 | 3D-13C/15N-NOESY-HSQC | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| 12 | 4D-13C/13C-HMQC-NOESY-HMQC | H2O / D2O | 100 mM KCL | 6.5 | 1.0 ATM | 303 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | REFINEMENT DETAILS CAN BE FOUND IN THE JOURNAL CITATION ABOVE | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 50 |
| Conformers Submitted Total Number | 26 |
| Representative Model | 5 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C,15N-LABELED CDC4P, AND 15N-LABELED CDC4P |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.8 | BRUNGER |
| 2 | structure solution | X-PLOR | ||
