SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 2D 1H-15N HSQC 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
2 3D HNCO 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
3 3D HN(CA)CO 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
4 3D HNCA 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
5 3D HN(CO)CA 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
6 3D HNCACB 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
7 3D HN(COCA)CB 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
8 3D HA(CA)NH 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
9 3D HA(CACO)NH 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
10 4D HC(CCO)NH 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
11 4D HCCH-TOCSY 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
12 4D 13Chmqc-NOE-13Chsqc NOESY 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
13 4D 13Chmqc-NOE-15Nhsqc NOESY 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
14 2D NH RDC 0.4 mM [U-98% 13C; U-98% 15N] Selaginella moellendorffii TTP TZF domain single polypeptide chain/9mer RNA complex, 2 mM beta-mercaptoethanol, 100 mM potassium chloride, 20 mM sodium phosphate, 95% H2O/5% D2O 0.1 95% H2O/5% D2O 6.2 1 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
NMR Ensemble Information
Conformer Selection Criteria structures with the lowest energy
Conformers Calculated Total Number 230
Conformers Submitted Total Number 10
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 collection 3.2 TopSpin Bruker Biospin
10 collection 4.2 VnmrJ Varian
2 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
3 data analysis 8.0 NMRView Johnson and Blevins
4 chemical shift assignment ? PINE Bahrami, Markley, Assadi, and Eghbalnia
5 chemical shift assignment ? AutoAssign Zimmerman, Moseley, Kulikowski and Montelione
6 data analysis ? TALOS+ Bax and Delaglio
7 structure calculation ? Amber Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman
8 structure calculation ? CYANA Guntert, Mumenthaler and Wuthrich
9 peak picking ? NMRView Johnson, One Moon Scientific
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