6JPP
Solution structure of ELMO1 RBD
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D 1H-13C NOESY | 1 mM [U-100% 13C; U-100% 15N] Elmo1 RBD | 90% H2O/10% D2O | 100 mM | 7.0 | ambient atm | 298 | Bruker AVANCE III 900 |
2 | 3D 1H-15N NOESY | 1 mM [U-100% 13C; U-100% 15N] Elmo1 RBD | 90% H2O/10% D2O | 100 mM | 7.0 | ambient atm | 298 | Bruker AVANCE III 900 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
2 | Bruker | AVANCE III | 900 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing | Amber |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | structures with the least restraint violations |
Conformers Calculated Total Number | 200 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (fewest violations) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | refinement | Amber | Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman | |
2 | structure calculation | CYANA | Guntert, Mumenthaler and Wuthrich | |
3 | data analysis | NMRView | Johnson, One Moon Scientific | |
4 | data analysis | KUJIRA | Kobayashi, N | |
5 | collection | TopSpin | Bruker Biospin | |
6 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax |