2JR6
Solution structure of UPF0434 protein NMA0874. Northeast Structural Genomics Target MR32
SOLUTION NMR
NMR Experiment | ||||||||
---|---|---|---|---|---|---|---|---|
Experiment | Type | Sample Contents | Solvent | Ionic Strength | pH | Pressure | Temperature (K) | Spectrometer |
1 | [4,3]D GFT, HNNCABCA | 1.3 mM [U-100% 13C; U-100% 15N] entity | 90% H2O/10% D2O | 100 | 6.5 | ambient | 25 | |
2 | [4,3]D GFT, CABCA(CO)NHN | 1.3 mM [U-100% 13C; U-100% 15N] entity | 90% H2O/10% D2O | 100 | 6.5 | ambient | 25 | |
3 | [4,3]D GFT, ALI-HCCH | 1.3 mM [U-100% 13C; U-100% 15N] entity | 90% H2O/10% D2O | 100 | 6.5 | ambient | 25 | |
4 | [4,3]D GFT ARO-HCCH | 1.3 mM [U-100% 13C; U-100% 15N] entity | 90% H2O/10% D2O | 100 | 6.5 | ambient | 25 | |
5 | [4,3]D GFT | 1.3 mM [U-100% 13C; U-100% 15N] entity | 90% H2O/10% D2O | 100 | 6.5 | ambient | 25 | |
6 | HABCAB(CO)NHN | 1.3 mM [U-100% 13C; U-100% 15N] entity | 90% H2O/10% D2O | 100 | 6.5 | ambient | 25 | |
7 | SIMULTANEOUS HETERONUCLEAR RESOLVED [1H, 1H]-NOESY | 1.3 mM [U-100% 13C; U-100% 15N] entity | 90% H2O/10% D2O | 100 | 6.5 | ambient | 25 | |
8 | 2D 1H-13C HSQC | 1.2 mM [U-5% 13C; U-100% 15N] entity | 90% H2O/10% D2O | 100 | 6.5 | ambient | 25 |
NMR Spectrometer Information | |||
---|---|---|---|
Spectrometer | Manufacturer | Model | Field Strength |
1 | Varian | INOVA | 750 |
2 | Varian | INOVA | 600 |
NMR Refinement | ||
---|---|---|
Method | Details | Software |
torsion angle dynamics, simulated annealing | AutoAssign |
NMR Ensemble Information | |
---|---|
Conformer Selection Criteria | target function |
Conformers Calculated Total Number | 100 |
Conformers Submitted Total Number | 20 |
Representative Model | 1 (lowest energy) |
Computation: NMR Software | ||||
---|---|---|---|---|
# | Classification | Version | Software Name | Author |
1 | chemical shift assignment | AutoAssign | Zimmerman, Moseley, Kulikowski and Montelione | |
2 | peak picking | XEASY | Bartels et al. | |
3 | structure solution | AutoStructure | Huang, Tejero, Powers and Montelione | |
4 | structure solution | CYANA | Guntert, Mumenthaler and Wuthrich | |
5 | processing | NMRPipe | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax | |
6 | refinement | CNS | Brunger, Adams, Clore, Gros, Nilges and Read |