6OH1
IgA1 Protease G5 domain structure
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-15N HSQC | 0.42 mM U-13C,15N, 2H IgA1P G5 domain | 100% D2O | 150 mM | 6.5 | 1 atm | 293 | Varian Direct Drive 900 |
| 2 | 3D HNCACB | 0.42 mM U-13C,15N, 2H IgA1P G5 domain | 100% D2O | 150 mM | 6.5 | 1 atm | 293 | Bruker AVANCE 800 |
| 3 | 3D C(CO)NH | 0.42 mM U-13C,15N, 2H IgA1P G5 domain | 100% D2O | 150 mM | 6.5 | 1 atm | 293 | Bruker AVANCE 800 |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | Direct Drive | 900 |
| 2 | Bruker | AVANCE | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry | CS-ROSETTA | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 8 |
| Conformers Submitted Total Number | 8 |
| Representative Model | 1 (fewest violations) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Analysis | CCPN | |
| 2 | structure calculation | CS-ROSETTA | Shen, Vernon, Baker and Bax | |
| 3 | chemical shift assignment | Analysis | CCPN | |
| 4 | peak picking | Analysis | CCPN | |
