1GAB
STRUCTURE OF AN ALBUMIN-BINDING DOMAIN, NMR, 20 STRUCTURES
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | COSY | 6.0 | 300 | |||||
| 2 | R-COSY | 6.0 | 300 | |||||
| 3 | TOCSY | 6.0 | 300 | |||||
| 4 | 2Q | 6.0 | 300 | |||||
| 5 | NOESY | 6.0 | 300 | |||||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | GE | OMEGA | 500 |
| 2 | Varian | UNITY | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DETAILS OF THE STRUCTURE DETERMINATION AND ALL STRUCTURAL STATISTICS ARE GIVEN IN THE PAPER CITED ON THE JRNL RECORDS ABOVE. THE STRUCTURES ARE BASED ON 649 INTERPROTON DISTANCE CONSTRAINTS AND 26 DIHEDRAL CONSTRAINTS. NO HYDROGEN BOND CONSTRAINTS WERE USED. | X-PLOR | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the least restraint violations |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure calculation | X-PLOR | 3.1 | BRUKER |
| 2 | refinement | X-PLOR | 3.1 | BRUKER |
