1IL6
HUMAN INTERLEUKIN-6, NMR, MINIMIZED AVERAGE STRUCTURE
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2/3/4D NOESY | 6.1 | 298 | |||||
| 2 | TOCSY | 6.1 | 298 | |||||
| 3 | ETC. | 6.1 | 298 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY PLUS 600 | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY AND SIMULATED ANNEALING. | STRUCTURES ARE BASED ON 2961 INTERPROTON DISTANCE RESTRAINTS DERIVED FROM NMR MEASUREMENTS INCLUDING 138 HYDROGEN BOND RESTRAINTS FROM 69 HYDROGEN BONDS IDENTIFIED USING AMIDE EXCHANGE DATA AND INITIAL STRUCTURE CALCULATIONS. IN ADDITION, 83 PHI BACKBONE TORSION ANGLE RESTRAINTS WERE DERIVED FROM COUPLING CONSTANTS. THE METHOD USED TO DERIVE THE FINAL ENSEMBLE OF STRUCTURES IS THE HYBRID METRIC MATRIX DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING METHOD (M. NILGES, G.M. CLORE, AND A.M. GRONENBORN (1988) FEBS LETT. 229, 317-324. | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION |
| Conformers Calculated Total Number | 75 |
| Conformers Submitted Total Number | 1 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.1 | BRUNGER |
| 2 | structure solution | X-PLOR | ||
