SOLUTION NMR

NMR Experiment
Experiment Type Sample Contents Ionic Strength Solvent pH Pressure Temprature (K)
1 3D HNCACB 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
2 3D HNCO 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
3 3D HN(CA)CO 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
4 3D HBHA(CBCACO)NH 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
5 3D HN(COCA)CB 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
6 3D H(CCCO)NH-TOCSY 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
7 3D (H)C(CCO)NH-TOCSY 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
8 3D HCCH-TOCSY 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
9 2D (H)CB(CGCD)HD 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
10 2D (H)CB(CGCC)H-TOCSY (Tyr-optimized) 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
11 2D (H)CB(CGCC)H-TOCSY (Phe-optimized) 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
12 3D (H)CCH-TOCSY (arom) 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
13 3D 1H-15N NOESY 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
14 3D 1H-13C NOESY( aliph) 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
15 3D 1H-13C NOESY (arom) 1 mM [U-13C; U-15N] Tb 1-C-Grx1, 50 mM sodium phosphate, 150 mM sodium chloride, 10 mM DTT, 90% H2O/10% D2O ? 90% H2O/10% D2O 7.0 ambient 298
NMR Spectrometer Information
Spectrometer Manufacturer Model Field Strength
NMR Refinement
Method Details Software
molecular dynamics ? 1
NMR Ensemble Information
Conformer Selection Criteria target function
Conformers Calculated Total Number 100
Conformers Submitted Total Number 20
Representative Model 1 (lowest energy)
Computation: NMR Software
# Classification Version Software Name Author
1 structure solution 2.1 CYANA Guntert, Mumenthaler and Wuthrich
2 refinement ? Amber Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman
3 collection ? TopSpin Bruker Biospin
4 processing ? TopSpin Bruker Biospin
5 processing ? NMRPipe Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
6 peak picking 2.0.1 UNIO'10 (UNIO) Torsten HERRMANN
7 structure solution 2.0.1 UNIO'10 (UNIO) Torsten HERRMANN
8 data analysis ? CARA Keller and Wuthrich
Feedback Form
Name
Email
Institute
Feedback