Solution%20Structure%20Determination%20by%20NMR%20and%20Distance%20Geometry%20Calculations - PowerPoint PPT Presentation

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Solution%20Structure%20Determination%20by%20NMR%20and%20Distance%20Geometry%20Calculations

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Solution Structure Determination by NMR and Distance Geometry Calculations 1. Pure Protein (0.3 mL, 0.5 - 1 mM; ~ 10 mg) 2. Sequence-specific resonance assignments – PowerPoint PPT presentation

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Title: Solution%20Structure%20Determination%20by%20NMR%20and%20Distance%20Geometry%20Calculations

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Solution Structure Determination by NMR and
Distance Geometry Calculations
• 1. Pure Protein (0.3 mL, 0.5 - 1 mM 10 mg)
• 2. Sequence-specific resonance assignments
• 3. Sequence-specifice distance constraints
• disulfide bonds
• spin-spin coupling constants
• internuclear distance constraints from NOEs
• residual dipolar couplings
• hydrogen bonds
• standard bond lengths bond angles
• 4. Distance Geometry Calculations
• 5. Constrainted Energy Minimization Refinement

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Solution Structure Determination by NMR and
Distance Geometry Calculations
• 1. Pure Protein (0.3 mL, 0.5 - 1 mM 10 mg)
• 2. Sequence-specific resonance assignments
• 3. Sequence-specifice distance constraints
• disulfide bonds
• spin-spin coupling constants
• internuclear distance constraints from NOEs
• residual dipolar couplings
• hydrogen bonds
• standard bond lengths bond angles
• 4. Distance Geometry Calculations
• 5. Constrainted Energy Minimization Refinement