5Z8I
Solution structure of the SBDbeta domain of yeast Ssa1
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D 1H-15N HSQC | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
2 | 2D 1H-13C HSQC | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
3 | 3D CBCA(CO)NH | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
4 | 3D HNCACB | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
5 | 3D HNCO | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
6 | 3D HN(CA)CO | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
10 | 3D C(CO)NH | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
9 | 3D HBHA(CO)NH | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
8 | 3D CCH-TOCSY | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
7 | 3D HCCH-TOCSY | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
11 | 3D 15N-edited NOESY | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
12 | 3D 13C-edited NOESY | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
13 | 3D 13C-edited aromatic NOESY | 1 mM [U-13C; U-15N] Ssa1 | 90% H2O/10% D2O | 90 mM | 6.5 | 1 atm | 298 | Varian DD2 600 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | DD2 | 600 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
torsion angle dynamics | NMRPipe | |
simulated annealing | NMRView |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 50 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
2 | chemical shift assignment | NMRView | Johnson, One Moon Scientific | |
3 | structure calculation | CYANA | Guntert, Mumenthaler and Wuthrich | |
4 | refinement | CNS | Brunger, Adams, Clore, Gros, Nilges and Read |