1K5K
Homonuclear 1H Nuclear Magnetic Resonance Assignment and Structural Characterization of HIV-1 Tat Mal Protein
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D NOESY | 1 mM Tat Mal; 100mM phosphate buffer; 90% H20 10% D2O; Azide 2/1000 | 4.5 | Ambient | 293 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | DRX | 500 |
NMR Refinement | ||
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Method | Details | Software |
molecular dynamics | Felix |
NMR Ensemble Information | |
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Conformer Selection Criteria | back calculated data agree with experimental NOESY spectrum |
Conformers Calculated Total Number | 20 |
Conformers Submitted Total Number | 10 |
Representative Model | 1 (fewest violations) |
Additional NMR Experimental Information | |
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Details | This structure was determined using four NMR experiments (TOCSY, NOESY 100 ms, NOESY 150 ms & NOESY 200 ms). |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | data analysis | Felix | 972 | MSI |
2 | structure solution | Discover | 2000 | MSI |
3 | refinement | Discover | 2000 | MSI |