1ZUB
Solution Structure of the RIM1alpha PDZ Domain in Complex with an ELKS1b C-terminal Peptide
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D_15N-separated_NOESY | 0.5mM Rim1alpha PDZ domain U-15N, 0.75mM ELKS1b C-terminal peptide, 20mM Mes buffer, 90% H2O, 10% D2O | 90% H2O/10% D2O | 150mM NaCl | 6.5 | ambient | 303 | |
2 | 3D_13C-separated_NOESY | 0.5mM Rim1alpha PDZ domain U-15N, 13C, 0.75mM ELKS1b C-terminal peptide, 20mM Mes buffer, 90% H2O, 10% D2O | 90% H2O/10% D2O | 150mM NaCl | 6.5 | ambient | 303 | |
3 | 3D_15N-separated_NOESY | 0.5mM ELKS1b C-terminal peptide U-15N, 0.75mM Rim1alpha PDZ domain, 20mM Mes buffer, 90% H2O, 10% D2O | 90% H2O/10% D2O | 150mM NaCl | 6.5 | ambient | 303 | |
4 | 3D_13C-separated_NOESY | 0.5mM ELKS1b C-terminal peptide U-15N, 13C, 0.75mM Rim1alpha PDZ domain, 20mM Mes buffer, 90% H2O, 10% D2O | 90% H2O/10% D2O | 150mM NaCl | 6.5 | ambient | 303 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 600 |
2 | Varian | INOVA | 500 |
NMR Refinement | ||
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Method | Details | Software |
torsion angle dynamics | CNS |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 1000 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | refinement | CNS | 1.1 | Brunger |
2 | processing | NMRPipe | 2.3 | Delaglio |
3 | data analysis | NMRView | 5.1 | Johnson |