6F46
Structure of the transmembrane helix of BclxL in phospholipid nanodiscs
SOLUTION NMR
NMR Experiment | ||||||||
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Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 2D 1H-15N HSQC | 400 uM [U-98% 2H, U-98% 13C; U-98% 15N] BclxL | 95% H2O/5% D2O | 100 mM | 7.0 | 1 atm | 318 | Bruker AVANCE III 800 |
2 | 3D HNCO | 400 uM [U-98% 2H, U-98% 13C; U-98% 15N] BclxL | 95% H2O/5% D2O | 100 mM | 7.0 | 1 atm | 318 | Bruker AVANCE III 800 |
3 | 3D HNCA | 400 uM [U-98% 2H, U-98% 13C; U-98% 15N] BclxL | 95% H2O/5% D2O | 100 mM | 7.0 | 1 atm | 318 | Bruker AVANCE III 800 |
4 | 3D HNCACB | 400 uM [U-98% 2H, U-98% 13C; U-98% 15N] BclxL | 95% H2O/5% D2O | 100 mM | 7.0 | 1 atm | 318 | Bruker AVANCE III 800 |
5 | 2D 1H-15N TROSY | 400 uM [U-98% 2H, U-98% 13C; U-98% 15N] BclxL | 95% H2O/5% D2O | 100 mM | 7.0 | 1 atm | 318 | Bruker AVANCE III 800 |
6 | 3D 1H-15N NOESY | 400 uM [U-98% 2H, U-98% 13C; U-98% 15N] BclxL | 95% H2O/5% D2O | 100 mM | 7.0 | 1 atm | 318 | Bruker AVANCE III 800 |
NMR Spectrometer Information | |||
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Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | AVANCE III | 800 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | Xplor-NIH |
NMR Ensemble Information | |
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Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | collection | TopSpin | Bruker Biospin | |
2 | data analysis | Sparky | Goddard | |
3 | chemical shift assignment | Sparky | Goddard | |
4 | structure calculation | Xplor-NIH | Schwieters, Kuszewski, Tjandra and Clore |