1J3G
Solution structure of Citrobacter Freundii AmpD
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D-NOESY | 0.3mM AmpD | 95% H2O, 5% D2O, 2mM ZnSO4 | 5.5 | ambient | 305 | ||
| 2 | 3D_15N-separated_NOESY | 0.3mM AmpD U-15N | 95% H2O, 5% D2O, 2mM ZnSO4 | 5.5 | ambient | 305 | ||
| 3 | HNHB | 0.3mM AmpD U-15N | 95% H2O, 5% D2O, 2mM ZnSO4 | 5.5 | ambient | 305 | ||
| 4 | DQF-COSY | 0.3mM AmpD | 95% H2O, 5% D2O, 2mM ZnSO4 | 5.5 | ambient | 305 | ||
| 5 | CT-HMQC-HN | 0.3mM AmpD U-15N | 95% H2O, 5% D2O, 2mM ZnSO4 | 5.5 | ambient | 305 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 600 |
| 2 | Varian | INOVA | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| torsion angle dynamics | PROSA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | all calculated structures submitted |
| Conformers Calculated Total Number | 20 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (closest to the average) |
| Additional NMR Experimental Information | |
|---|---|
| Details | The structure was determined by triple-resonance and 2D homonuclear techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | PROSA | 3.6 | Guentert |
| 2 | data analysis | XEASY | 970326 | Bartels |
| 3 | structure solution | DYANA | 1.5 | Guentert |
| 4 | refinement | OPAL | 2.6 | P.Luginbuhl,P.Guntert,M.Billeter,K.Wuthrich |
