6IZG
Solution structure of Ufm1 protein from Trypanosoma brucei
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D 1H-15N HSQC | 1.5 mM [U-13C; U-15N] Ufm1, 150 mM sodium chloride, 20 mM sodium phosphate, 2 mM EDTA, 2 mM DTT | 90% H2O/10% D2O | 150 mM | 6.8 | 1 atm | 298 | Bruker DMX 600 |
2 | 3D 1H-15N NOESY | 1.5 mM [U-13C; U-15N] Ufm1, 150 mM sodium chloride, 20 mM sodium phosphate, 2 mM EDTA, 2 mM DTT | 90% H2O/10% D2O | 150 mM | 6.8 | 1 atm | 298 | Bruker DMX 600 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | DMX | 600 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | X-PLOR NIH |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 500 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | refinement | X-PLOR NIH | Schwieters, Kuszewski, Tjandra and Clore | |
2 | chemical shift assignment | Sparky | Goddard | |
3 | collection | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
4 | structure calculation | CYANA | Guntert, Mumenthaler and Wuthrich |