2N72
Solution structure of the Q domain from ACBD3
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D HNCACB | 0.28 mM [U-13C; U-15N] protein | 90% H2O/10% D2O | 0.1 | 6.5 | ambient | 298 | |
2 | 3D CBCA(CO)NH | 0.28 mM [U-13C; U-15N] protein | 90% H2O/10% D2O | 0.1 | 6.5 | ambient | 298 | |
3 | 3D HNCO | 0.28 mM [U-13C; U-15N] protein | 90% H2O/10% D2O | 0.1 | 6.5 | ambient | 298 | |
4 | 3D HN(CO)CA | 0.28 mM [U-13C; U-15N] protein | 90% H2O/10% D2O | 0.1 | 6.5 | ambient | 298 | |
5 | 2D 1H-15N HSQC | 0.28 mM [U-13C; U-15N] protein | 90% H2O/10% D2O | 0.1 | 6.5 | ambient | 298 | |
6 | 3D 1H-15N NOESY | 0.28 mM [U-13C; U-15N] protein | 90% H2O/10% D2O | 0.1 | 6.5 | ambient | 298 | |
7 | 3D 1H-13C NOESY | 0.28 mM [U-13C; U-15N] protein | 90% H2O/10% D2O | 0.1 | 6.5 | ambient | 298 | |
8 | 3D HCCH-TOCSY | 0.28 mM [U-13C; U-15N] protein | 90% H2O/10% D2O | 0.1 | 6.5 | ambient | 298 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Bruker | AVANCE | 600 |
2 | Bruker | AVANCE | 850 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing, molecular dynamics | CYANA |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | structures with the lowest energy |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 30 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | structure solution | CYANA | Guntert, Mumenthaler and Wuthrich | |
2 | refinement | CYANA | Guntert, Mumenthaler and Wuthrich |