2HI3
Solution structure of the homeodomain-only protein HOP
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 1.5mM HOP; 50mM phosphate buffer; 0.5mM TCEP; pH 6.5-6.9, 90% H2O, 10% D2O | 90% H2O/10% D2O | 50mM phosphate | 6.7 | ambient | 298 | |
| 2 | HNHA | 1.0mM HOP U-15N; 50mM phosphate buffer; 0.5mM TCEP; pH 6.5-6.9, 90% H2O, 10% D2O | 90% H2O/10% D2O | 50mM phosphate | 6.7 | ambient | 298 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DRX | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | Structure is based on 783 NOEs, 144 TALOS-derived angle constraints, and 48 dihedral angle constraints derived from an HNHA. | XwinNMR |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | This structure was determined using standard 2D and 3D homonuclear and triple resonance techniques. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | processing | XwinNMR | 3.5 | Bruker |
| 2 | data analysis | XEASY | 1 | Guntert |
| 3 | refinement | ARIA | 1.1 | Nilges |
