2KU1
Dynamic Regulation of Archaeal Proteasome Gate Opening as Studied by TROSY-NMR
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D 1H-13C HMQC | 0.2-3 mM [U-15N; U-2H; Met-1H,Met-CH3-13C] alpha-1, 100 % D2O-2, 25 mM potassium phosphate-3, 50 mM sodium chloride-4, 1 mM EDTA-5, 0.02 % sodium azide-6 | 100% D2O | 6.8 | ambient | 323 | ||
| 2 | 2D 1H-13C HMQC | 0.2-3 mM [U-15N; U-2H; Met-1H,Met-CH3-13C] alpha-1, 100 % D2O-2, 25 mM potassium phosphate-3, 50 mM sodium chloride-4, 1 mM EDTA-5, 0.02 % sodium azide-6 | 100% D2O | 6.8 | ambient | 323 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | INOVA | 600 |
| 2 | Varian | INOVA | 800 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| simulated annealing | Sparky | |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 99 |
| Conformers Submitted Total Number | 30 |
| Representative Model | 1 (lowest energy) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | chemical shift assignment | Sparky | 3.114 | Goddard |
| 2 | data analysis | Sparky | 3.114 | Goddard |
| 3 | peak picking | Sparky | 3.114 | Goddard |
| 4 | structure solution | X-PLOR NIH | 2.23 | Schwieters, Kuszewski, Tjandra and Clore |
| 5 | data analysis | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
| 6 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
| 7 | refinement | X-PLOR NIH | 2.23 | Schwieters, Kuszewski, Tjandra and Clore |
