1ZMZ
Solution structure of the N-terminal domain (M1-S98) of human centrin 2
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | 2D NOESY | 0.7-1.5 mM N-term Human centrin 2, 20mM Tris buffer; 93% H2O, 7% D2O, | 100 mM NaCl | 6.5 | ambient | 308 | ||
| 2 | 2D TOCSY | 0.7-1.5 mM N-term Human centrin 2, 20mM Tris buffer; 93% H2O, 7% D2O, | 100 mM NaCl | 6.5 | ambient | 308 | ||
| 3 | DQF-COSY | 0.7-1.5 mM N-term Human centrin 2, 20mM Tris buffer; 93% H2O, 7% D2O, | 100 mM NaCl | 6.5 | ambient | 308 | ||
| 4 | 3D 15N NOESY-HSQC, TOCSY-HSQC | 1 mM N-term Human centrin 2 U-15N; 20mM Tris buffer; 93% H2O 7% D2O, | 100 mM NaCl | 6.5 | ambient | 308 | ||
| 5 | 2D 15N HSQC | 1 mM N-term Human centrin 2 U-15N; 20mM Tris buffer; 93% H2O 7% D2O, | 100 mM NaCl | 6.5 | ambient | 308 | ||
| 6 | 2D DQF-COSY, TOCSY, NOESY | 1 mM N-term Human centrin 2, 20mM Tris buffer; 100% D2O, | 100 mM NaCl | 6.5 | ambient | 308 | ||
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Varian | UNITY | 500 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| molecular dynamics | The structures are based on a total of 1245 restraints, 1159 are NOE-derived distance constraints, 50 dihedral angle restraints,36 distance restraints from hydrogen bonds. | Discover |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with acceptable covalent geometry,structures with the least restraint violations,structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 20 |
| Representative Model | 1 (closest to the average) |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | refinement | Discover | 2.98 | |
