3PDZ
SOLUTION STRUCTURE OF THE PDZ2 DOMAIN FROM HUMAN PHOSPHATASE HPTP1E
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | NOESY | 10% D2O/90% WATER | 6.8 | 1 atm | 293 | |||
| 2 | TOCSY | 10% D2O/90% WATER | 6.8 | 1 atm | 293 | |||
| 3 | COSY | 10% D2O/90% WATER | 6.8 | 1 atm | 293 | |||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | DMX500 | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | REFINEMENT DETAILS CAN BE FOUND IN PRIMARY REFERENCE | ,RICE,SIMONSON,WARREN |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | LOWEST ENERGY |
| Conformers Calculated Total Number | 200 |
| Conformers Submitted Total Number | 30 |
| Representative Model | 2 (n/a) |
| Additional NMR Experimental Information | |
|---|---|
| Details | THE STRUCTURE WAS DETERMINED USING 2D AND 3D EXPERIMENTS USING UNLABELED, 15N- LABELED, AND DOUBLE-LABELED PROTEIN |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | ,RICE,SIMONSON,WARREN | BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ | |
| 2 | structure solution | CNS | ||
