2E4J
Solution Structure of mouse Lipocalin-type Prostaglandin D Synthase
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 3D_15N-SEPARATED_NOESY | 1MM PROTEIN U-15N, 13C; 50MM PHOSPHATE BUFFER; 85% H2O, 15% D2O | 85% H2O, 15% D2O | 300mM NACL | 6.5 | AMBIENT | 303 | |
| 2 | 3D_ 13C-SEPARATED_NOESY | 1MM PROTEIN U-15N, 13C; 50MM PHOSPHATE BUFFER WITH 5MM 2-MERCAPTOETHANOL; 99.9% D2O | 99.9% D2O | 300mM NACL | 6.5 | AMBIENT | 303 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| DISTANCE GEOMETRY, SIMULATED ANNEALING, TORSION ANGLE DYNAMICS | CNS | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 30 |
| Conformers Submitted Total Number | 15 |
| Representative Model | 1 (closest to the average) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY. |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | CNS | 1.1 | |
