2NOC
Solution Structure of Putative periplasmic protein: Northest Structural Genomics Target StR106
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | GFT (4,3)D HNNCABCA | 1.1 mM protein, 10mM Tris, 100mM NaCl, 0.02% NaN3, 90% H2O, 10% D2O | 90% H2O/10% D2O | 4.5 | 1 atm | 298 | ||
2 | GFT (4,3)D CABCA(CO)NHN | 1.1 mM protein, 10mM Tris, 100mM NaCl, 0.02% NaN3, 90% H2O, 10% D2O | 90% H2O/10% D2O | 4.5 | 1 atm | 298 | ||
3 | GFT (4,3)D HABCAB(CO)NHN | 1.1 mM protein, 10mM Tris, 100mM NaCl, 0.02% NaN3, 90% H2O, 10% D2O | 90% H2O/10% D2O | 4.5 | 1 atm | 298 | ||
4 | GFT (4,3)D HCCH | 1.1 mM protein, 10mM Tris, 100mM NaCl, 0.02% NaN3, 90% H2O, 10% D2O | 90% H2O/10% D2O | 4.5 | 1 atm | 298 | ||
5 | SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY | 1.1 mM protein, 10mM Tris, 100mM NaCl, 0.02% NaN3, 90% H2O, 10% D2O | 90% H2O/10% D2O | 4.5 | 1 atm | 298 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 750 |
NMR Refinement | ||
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Method | Details | Software |
distance geometry, simulated annealing, molecular dynamics, torsion angle dynamics | DYANA |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (lowest energy) |
Additional NMR Experimental Information | |
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Details | This structure was determined using GFT techniques |
Computation: NMR Software | ||||
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# | Classification | Version | Software Name | Author |
1 | data analysis | DYANA | 1.5 | Guntert, P. et al. |
2 | processing | NMRPipe | 2.3 | Delaglio, F. et al. |
3 | structure solution | CYANA | 2.1 | Guntert, P. et al. |
4 | refinement | CNS | 1.1 | Brunger, A.T. et al. |
5 | data analysis | XEASY | 1.3 | Bartels, C., Xia, T.H. |
6 | data analysis | AutoStructure | 2.0.0 | Huang, Y.J. |
7 | data analysis | UBNMR | 1.0 | Shen, Y. |