1YGM
NMR structure of Mistic
SOLUTION NMR
| NMR Experiment | ||||||||
|---|---|---|---|---|---|---|---|---|
| Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
| 1 | TROSY-based HNCA | Uniform labeling with 13C (85%); 15N (85%); Deuterium (70%) | 10mM BisTris(HCl) pH 5.4, 95% H2O, 5% D2O, 50mM LDAO | 0 | 5.4 | Ambient | 310 | |
| 2 | TROSY-based HNCA(coded)CO | Uniform labeling with 13C (85%); 15N (85%); Deuterium (70%) | 10mM BisTris(HCl) pH 5.4, 95% H2O, 5% D2O, 50mM LDAO | 0 | 5.4 | Ambient | 310 | |
| 3 | 3D 15N-resolved TROSY-[1H,1H]-NOESY | Uniform labeling with 13C (85%); 15N (85%); Deuterium (70%) | 10mM BisTris(HCl) pH 5.4, 95% H2O, 5% D2O, 50mM LDAO | 0 | 5.4 | Ambient | 310 | |
| 4 | 3D H(CC-TOCSY-CO)-NH | Uniform labeling with 13C (85%); 15N (85%); Deuterium (70%) | 10mM BisTris(HCl) pH 5.4, 95% H2O, 5% D2O, 50mM LDAO | 0 | 5.4 | Ambient | 310 | |
| 5 | 3D 13C(aromatic)-resolved [1H,1H]-NOESY | Uniform labeling with 13C (85%); 15N (85%); Deuterium (70%) | 10mM BisTris(HCl) pH 5.4, 95% H2O, 5% D2O, 50mM LDAO | 0 | 5.4 | Ambient | 310 | |
| 6 | [13C,1H]-HMQC | Uniform labeling with 13C (85%); 15N (85%); Deuterium (70%) | 10mM BisTris(HCl) pH 5.4, 95% H2O, 5% D2O, 50mM LDAO | 0 | 5.4 | Ambient | 310 | |
| NMR Spectrometer Information | |||
|---|---|---|---|
| Spectrometer | Manufacturer | Model | Field Strength |
| 1 | Bruker | AVANCE | 700 |
| NMR Refinement | ||
|---|---|---|
| Method | Details | Software |
| distance geometry restraints with dihedral angle constraints | 573 NOE distance restraints, 346 angle restraints from chemical shifts and NOEs, 478 distance restraints from spin-label experiments | CYANA |
| NMR Ensemble Information | |
|---|---|
| Conformer Selection Criteria | structures with the lowest energy |
| Conformers Calculated Total Number | 100 |
| Conformers Submitted Total Number | 10 |
| Representative Model | 1 (lowest energy) |
| Additional NMR Experimental Information | |
|---|---|
| Details | Long-range restraints derived from analysis of paramagnetic spin-label perturbation of 2D[15N,1H] TROSY spectra from five site-specifically labeled samples |
| Computation: NMR Software | ||||
|---|---|---|---|---|
| # | Classification | Version | Software Name | Author |
| 1 | structure solution | CYANA | Guntert | |
| 2 | data analysis | MAPPER | Guntert, Salzmann, Braun, Wuthrich | |
| 3 | refinement | CYANA | Guntert | |
