1SRK
Solution structure of the third zinc finger domain of FOG-1
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D NOESY | 0.27 mM FOG-F3, 2mM TCEP, 1 mM ZnSO4, 95% H2O, 5% D2O | 95% H2O/5% D2O | 0 mM | 5.6 | ambient | 275 | |
2 | 2D TOCSY | 0.27 mM FOG-F3, 2mM TCEP, 1 mM ZnSO4, 95% H2O, 5% D2O | 95% H2O/5% D2O | 0 mM | 5.6 | ambient | 275 | |
3 | DQF-COSY | 0.27 mM FOG-F3, 2mM TCEP, 1 mM ZnSO4, 95% H2O, 5% D2O | 95% H2O/5% D2O | 0 mM | 5.6 | ambient | 275 | |
4 | HNHA | 0.245 mM 15N-FOG-F3, 2mM TCEP, 1 mM ZnSO4, 95% H2O, 5% D2O | 95% H2O/5% D2O | 0 mM | 5.6 | ambient | 275 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | DRX | 600 |
NMR Refinement | ||
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Method | Details | Software |
simulated annealing, molecular dynamics, torsion angle dynamics | final structures were based on 859 unambiguous NOE-derived distance constraints, 20 ambiguous constraints and 31 dihedral angle restraints | XwinNMR |
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) |
Additional NMR Experimental Information | |
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Details | Structure was determined using standard 2D homonuclear NMR spectroscopy |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | processing | XwinNMR | 2.6 | Bruker |
2 | data analysis | XEASY | 1.3.13 | Bartels et al |
3 | refinement | DYANA | 1.5 | Guntert et al |
4 | structure solution | ARIA | 1.2 | Linge et al |