2MLP
MICROCIN LEADER PEPTIDE FROM E. COLI, NMR, 25 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 5.7 | 298 | |||||
| 2 | TOCSY | 5.7 | 298 | |||||
| 3 | DQF-COSY | 5.7 | 298 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX-500 | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry | REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION. MULTIPLE STRUCTURES WERE CALCULATED FROM NMR DATA. PAIRWISE R.M.S.D. CALCULATED FOR RESIDUES 5 - 21 BACKBONE ATOMS : 0.4 A ALL HEAVY ATOMS: 1.0 A | DGII |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | RANDOM |
| Conformers Calculated Total Number | 30 |
| Conformers Submitted Total Number | 25 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | DGII | HAVEL | |
| 2 | structure solution | Insight II | II | |
