1QJO
INNERMOST LIPOYL DOMAIN OF THE PYRUVATE DEHYDROGENASE FROM ESCHERICHIA COLI
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | NOESY | 90% H2O/ 10%D2O | 20MM NAPI | 5.5 | 1 atm | 298 | ||
2 | TOCSY | 90% H2O/ 10%D2O | 20MM NAPI | 5.5 | 1 atm | 298 | ||
3 | DQFCOSY | 90% H2O/ 10%D2O | 20MM NAPI | 5.5 | 1 atm | 298 | ||
4 | HMQC-NOESY | 90% H2O/ 10%D2O | 20MM NAPI | 5.5 | 1 atm | 298 | ||
5 | HMQC-TOCSY | 90% H2O/ 10%D2O | 20MM NAPI | 5.5 | 1 atm | 298 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | AM | 500 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
XPLOR | THE N-TERMINAL MET IS AN ARTIFACT OF THE EXPRESSION SYSTEM USED AND NO RESTRAINTS WERE USED TO CALCULATE ITS PART IN THE STRUCTURE. | X-PLOR |
NMR Ensemble Information | |
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Conformer Selection Criteria | |
Conformers Calculated Total Number | 60 |
Conformers Submitted Total Number | 30 |
Representative Model | 1 (n/a) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | refinement | X-PLOR | 3.8 | BRUNGER |
2 | structure solution | ANSIG |