2AJ0
Solution structure of apoCadA
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D NOESY | 2mM CadA N-terminal domain U-15N, 350mM sodium phosphate buffer, pH 7, in the presence of 5mM TCEP | 90% H2O/10% D2O | 350mM sodium phosphate | 7 | ambient | 298 | |
2 | 2D TOCSY | 2mM CadA N-terminal domain U-15N, 350mM sodium phosphate buffer, pH 7, in the presence of 5mM TCEP | 90% H2O/10% D2O | 350mM sodium phosphate | 7 | ambient | 298 | |
3 | HNHA | 2mM CadA N-terminal domain U-15N, 350mM sodium phosphate buffer, pH 7, in the presence of 5mM TCEP | 90% H2O/10% D2O | 350mM sodium phosphate | 7 | ambient | 298 | |
4 | HNHB | 2mM CadA N-terminal domain U-15N, 350mM sodium phosphate buffer, pH 7, in the presence of 5mM TCEP | 90% H2O/10% D2O | 350mM sodium phosphate | 7 | ambient | 298 | |
5 | 3D_15N-separated_NOESY | 2mM CadA N-terminal domain U-15N, 350mM sodium phosphate buffer, pH 7, in the presence of 5mM TCEP | 90% H2O/10% D2O | 350mM sodium phosphate | 7 | ambient | 298 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | AVANCE | 700 |
2 | Bruker | AVANCE | 600 |
3 | Bruker | AVANCE | 500 |
NMR Refinement | ||
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Method | Details | Software |
simulated annealing | the structures are based on a total of 1269 NOE-derived, distance and dihedral angle restraints. | XwinNMR |
NMR Ensemble Information | |
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Conformer Selection Criteria | target function |
Conformers Calculated Total Number | 200 |
Conformers Submitted Total Number | 20 |
Additional NMR Experimental Information | |
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Details | This structure was determined using standard 3D 15N heteonuclear techniques |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | collection | XwinNMR | ||
2 | data analysis | NEASY | ||
3 | structure solution | DYANA | ||
4 | refinement | Amber | 5.0 | |
5 | processing | XwinNMR |