2DNU
Solution structure of RSGI RUH-061, a SH3 domain from human
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | 3D_15N-separated_NOESY | 1.12mM RUH-061 U-15N,13C; 20mM Tris U-2H; 100mM NaCl; 1mM DTT U-2H; 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O | 100mM NaCl | 7.0 | ambient | 298 | |
2 | 3D_13C-separated_NOESY | 1.12mM RUH-061 U-15N,13C; 20mM Tris U-2H; 100mM NaCl; 1mM DTT U-2H; 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O | 100mM NaCl | 7.0 | ambient | 298 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 800 |
2 | JEOL | ECA | 700 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
simulated annealing, torsion angle dynamics | VNMR |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | The submitted conformer models are those with the lowest number of target function |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (lower target function) |
Additional NMR Experimental Information | |
---|---|
Details | spectrometer_id 1 is for experiment_id 1, spectrometer_id 2 is for experiment_id 2 |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | collection | VNMR | 6.1C | Varian |
2 | collection | Delta NMR | 4.3.2 | JEOL |
3 | processing | NMRPipe | 20031121 | Delaglio, F. |
4 | data analysis | NMRView | 5.0.4 | Johnson, B.A. |
5 | data analysis | KUJIRA | 0.9741 | Kobayashi, N. |
6 | structure solution | CYANA | 2.0.17 | guntert, P. |
7 | refinement | CYANA | 2.0.17 | guntert, P. |