1YX3
NMR structure of Allochromatium vinosum DsrC: Northeast Structural Genomics Consortium target OP4
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D_15N-separated_NOESY | 1 mM U-13C, 15N DsrC, 500 mM NaCl, 50 mM sodium phosphate, 5 mM DTT | 90% H2O/10% D2O | 500 mM NaCl | 7.4 | ambient | 298 | |
2 | 3D_13N,15N-separated_simultaneous_NOESY | 1 mM U-13C, 15N DsrC, 500 mM NaCl, 50 mM sodium phosphate, 5 mM DTT | 90% H2O/10% D2O | 500 mM NaCl | 7.4 | ambient | 298 | |
3 | 4D_13C-separated_NOESY | 1 mM U-13C, 15N DsrC, 500 mM NaCl, 50 mM sodium phosphate, 5 mM DTT | 100% D2O | 500 mM NaCl | 7.4 | ambient | 298 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 800 |
2 | Varian | INOVA | 600 |
NMR Ensemble Information | |
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Conformer Selection Criteria | low energy structures with fewest restraint violations |
Conformers Calculated Total Number | 25 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (low energy, few violations, close to average structure) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | refinement | X-PLOR | NIH-Xplor | Brunger,Clore,Kuszewski,Schwieters,Tjandra |
2 | data analysis | Sparky | 3.106 | T.D. Goddard, D.G. Kneller |
3 | structure solution | AutoStructure | 2.1.0 | G.T. Montelione, J.Y. Huang |
4 | data analysis | TALOS | 2003 | G. Cornilescu, F. Delaglio, A. Bax |