1AX3
SOLUTION NMR STRUCTURE OF B. SUBTILIS IIAGLC, 16 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 6.87 | 308 | |||||
| 2 | DQF-COSY | 6.87 | 308 | |||||
| 3 | TOCSY | 6.87 | 308 | |||||
| 4 | HMQC-J | 6.87 | 308 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX500 | 500 |
| 2 | Bruker | AMX600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY AND MOLECULAR DYNAMICS | REFINEMENT DETAILS CAN BE FOUND IN THE PAPER. | Amber |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION AND LOWEST AMBER ENERGY |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 16 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Amber | PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON,SEIBEL,SINGH,WEINER,KOLLMAN | |
| 2 | structure solution | DISGEO | ||
| 3 | structure solution | Amber | ||
