2M3K
Global fold of the type IV pilin ComP from Neisseria meningitidis
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D 1H-13C NOESY | 0.1-0.5 mM [U-100% 13C; U-100% 15N] ComP | 90% H2O/10% D2O | 0.05 | 6.7 | ambient | 310 | |
2 | 2D 1H-15N HSQC | 0.1-0.5 mM [U-100% 13C; U-100% 15N] ComP | 90% H2O/10% D2O | 0.05 | 6.7 | ambient | 310 | |
3 | 3D HCCH-TOCSY | 0.1-0.5 mM [U-100% 13C; U-100% 15N] ComP | 90% H2O/10% D2O | 0.05 | 6.7 | ambient | 310 | |
4 | 3D HNCACB | 0.1-0.5 mM [U-100% 13C; U-100% 15N] ComP | 90% H2O/10% D2O | 0.05 | 6.7 | ambient | 310 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | DRX | 800 |
2 | Bruker | DRX | 600 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | ARIA |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 20 |
Conformers Submitted Total Number | 1 |
Representative Model | 1 (closest to the average) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | structure solution | ARIA | Linge, O'Donoghue and Nilges | |
2 | refinement | ARIA | Linge, O'Donoghue and Nilges |