1LN6
STRUCTURE OF BOVINE RHODOPSIN (Metarhodopsin II)
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | FRAGMENTS OF RHODOPSIN | D2O, DMSO, DPC MICELLES | 10 mM | 6.00 | 1 atm | 283.00 | |
| 2 | DQF-COSY | FRAGMENTS OF RHODOPSIN | D2O, DMSO, DPC MICELLES | 10 mM | 6.00 | 1 atm | 283.00 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AMX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| MULTI-DIMENSIONAL NMR,CD, SIMULATED ANNEALING WITH MMFF94 FORCE FIELD, MOLECULAR DYNAMICS WITH CHARMM FORCE FIELD | SECONDARY STRUCTURE FROM NMR STRUCTURES OF PEPTIDES ENCODING HELICES OR TURNS, AND LONG-RANGE DISTANCE CONSTRAINTS FROM OTHER MEASUREMENTS ON INTACT PROTEIN AMINO TERMINUS REMOVED DUE TO LACK OF LONG-RANGE CONSTRAINTS | SYBYL |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 10 |
| Conformers Submitted Total Number | 1 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | SYBYL | 6.6 | TRIPOS |
| 2 | structure solution | SYBYL | 6.6 | TRIPOS |
