SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D_NOESY | 10 mM sodium phosphate, 300 mM sodium chloride, 5 mM sodium azide, pH 6 | 90% H2O/10% D2O | 300 mM NaCl | 6.0 | ambient | 303 | |
2 | 3D_13C-separated_NOESY | 10 mM sodium phosphate, 300 mM sodium chloride, 5 mM sodium azide, pH 6 | 90% H2O/10% D2O | 300 mM NaCl | 6.0 | ambient | 303 | |
3 | 3D_15N-separated_NOESY | 10 mM sodium phosphate, 300 mM sodium chloride, 5 mM sodium azide, pH 6 | 90% H2O/10% D2O | 300 mM NaCl | 6.0 | ambient | 303 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 500 |
NMR Refinement | ||
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Method | Details | Software |
simulated annealing | 943 NOE-derived distances restraints, 88 dihedral angle restraints, 39 hydrogen bond restraints | X-PLOR |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with acceptable covalent geometry |
Conformers Calculated Total Number | 240 |
Conformers Submitted Total Number | 10 |
Representative Model | 1 (lowest energy) |
Additional NMR Experimental Information | |
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Details | This structure was determined using standard NMR techniques. |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | refinement | X-PLOR | 3.1 | Brunger |