2HH2
Solution structure of the fourth KH domain of KSRP
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D_15N-separated_NOESY | 0.5 mM KSRP 15N-KH4, 10 mM Tris, 50 mM NaCl, 1 mM TCEP | 90% H2O/10% D2O | 50 mM NaCl | 7.4 | ambient | 300 | |
2 | 3D_13C-separated_NOESY | 0.5 mM KSRP 15N, 13C-KH4, 10 mM Tris, 50 mM NaCl, 1 mM TCEP | 90% H2O/10% D2O | 50 mM NaCl | 7.4 | ambient | 300 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 800 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
torsion angle dynamics | Refinement in water solvent | VNMR |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 200 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | collection | VNMR | ||
2 | processing | NMRPipe | F. Delaglio, S. Grzesiek, G.W. Vuister, G. Zhu, J. Pfeifer, A. Bax | |
3 | data analysis | Sparky | T.D. Goddard, D.G. Kneller | |
4 | structure solution | ARIA | 1.2 | J. Linge, S. O'Donoghue, M. Nilges |
5 | refinement | ARIA | 1.2 | J. Linge, S. O'Donoghue, M. Nilges |