7MPA
Structure and topology of DWORF in bicelles by oriented solid-state NMR
SOLID-STATE NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D 1H-15N SE-SAMPI4 | 2.5 mM [U-15N] Dwarf Open Reading Frame (DWORF), 20 mM HEPES, 20 mM potassium chloride, 5 mM magnesium chloride, 5 mM ethylene glycol-bis(b-aminoethyl ether)-N,N,N',N'-tetraacetic acid (EGTA), 0.02 % sodium azide, 2.5 % glycerol, 5 mM DTT, 267 mM 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 67 mM 1-palmitoyl-2-oleoyl-glycero-3-phosphocholine (POPC), 74 mM 1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC), 6 mM 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine-N-diethylenetriaminepentaacetic acid (14:0 PE-DTPA), 5 mM ytterbium chloride | 100% H20 | 30 mM | 7.0 | 1 atm | 298.15 | Varian VNMRS 600 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | VNMRS | 600 |
NMR Refinement | ||
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Method | Details | Software |
simulated annealing | X-PLOR NIH |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 5000 |
Conformers Submitted Total Number | 10 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | structure calculation | X-PLOR NIH | Schwieters, Kuszewski, Tjandra and Clore | |
2 | peak picking | NMRFAM-SPARKY | Lee, Tonelli and Markley | |
3 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |