2L0Z
Solution structure of a zinc-binding domain from the Junin virus envelope glycoprotein
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D DQF-COSY | 0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-2, 2.5 mM [U-94.5% 2H] TCEP-3, 5 mM zinc sulfate-4 | 90% H2O/10% D2O | 0 | 7.2 | ambient | 298 | |
2 | 2D 1H-1H TOCSY | 0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-2, 2.5 mM [U-94.5% 2H] TCEP-3, 5 mM zinc sulfate-4 | 90% H2O/10% D2O | 0 | 7.2 | ambient | 298 | |
3 | 2D 1H-1H NOESY | 0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-2, 2.5 mM [U-94.5% 2H] TCEP-3, 5 mM zinc sulfate-4 | 90% H2O/10% D2O | 0 | 7.2 | ambient | 298 | |
4 | 2D 1H-15N HSQC | 0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-2, 2.5 mM [U-94.5% 2H] TCEP-3, 5 mM zinc sulfate-4 | 90% H2O/10% D2O | 0 | 7.2 | ambient | 298 | |
5 | 2D E-COSY | 0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-6, 2.5 mM [U-94.5% 2H] TCEP-7, 4 mM zinc sulfate-8 | 100% D2O | 0 | 7.2 | ambient | 298 | |
6 | 2D 1H-13C HSQC | 0.7 mM JUNV ZBD peptide, 50 mM [U-98% 2H] Tris-6, 2.5 mM [U-94.5% 2H] TCEP-7, 4 mM zinc sulfate-8 | 100% D2O | 0 | 7.2 | ambient | 298 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | NMR System | 600 |
NMR Refinement | ||
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Method | Details | Software |
molecular dynamics | refinement in explicit solvent (H2O) in Aria | ARIA |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 56 |
Conformers Submitted Total Number | 21 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | structure solution | ARIA | 1.2 | Linge, O'Donoghue and Nilges |
2 | chemical shift assignment | Felix | 2004 | Felix NMR Inc. |
3 | peak picking | Felix | 2004 | Felix NMR Inc. |
4 | data analysis | Felix | 2004 | Felix NMR Inc. |
5 | refinement | ARIA | 1.2 | Linge, O'Donoghue and Nilges |