1IIE
HLA-DR ANTIGENS ASSOCIATED INVARIANT CHAIN
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 6.7 | 1 atm | 298 | ||||
| 2 | TOCSY | 6.7 | 1 atm | 298 | ||||
| 3 | HSQC | 6.7 | 1 atm | 298 | ||||
| 4 | TRIPLE RESONANCE | 6.7 | 1 atm | 298 | ||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX | 500 |
| 2 | Varian | UNITYPLUS | 500 |
| 3 | Varian | INOVA | 750 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | THE TRIMER STRUCTURE WAS CALCULATED USING A SIMULATED ANNEALING PROTOCOL BASED ON THE DIMER REFINEMENT METHODS OF NILGES, PROTEINS 17 : 297-309 (1993) | X-PLOR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LEAST RESTRAINT VIOLATION, GOOD GEOMETRY |
| Conformers Calculated Total Number | 80 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 14 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING DOUBLE- AND TRIPLE-RESONANCE EXPERIMENTS ON SAMPLES OF II 118-192 LABELED WITH COMBINATIONS OF 2H, 13C, AND 15N |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | X-PLOR | 3.1 | BRUNGER |
| 2 | structure calculation | X-PLOR | 3.1 | BRUNGER |
