2HI6

Solution NMR structure of UPF0107 protein AF_0055, Northeast Structural Genomics Consortium Target GR101


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY5-5.5mM CaCl2, 100mM NaCl, 20mM NH4OAc, 10mM DTT, 0.02% NaN3, pH 5.5, 5% D2O, 95% H2O U-15N,13C95% H2O/5% D2O5.5ambient298
2GFT (4,3)D HNNCABCA5-5.5mM CaCl2, 100mM NaCl, 20mM NH4OAc, 10mM DTT, 0.02% NaN3, pH 5.5, 5% D2O, 95% H2O U-15N,13C95% H2O/5% D2O5.5ambient298
3GFT (4,3)D CABCA(CO)NHN5-5.5mM CaCl2, 100mM NaCl, 20mM NH4OAc, 10mM DTT, 0.02% NaN3, pH 5.5, 5% D2O, 95% H2O U-15N,13C95% H2O/5% D2O5.5ambient298
4GFT (4,3)D HABCAB(CO)NHN5-5.5mM CaCl2, 100mM NaCl, 20mM NH4OAc, 10mM DTT, 0.02% NaN3, pH 5.5, 5% D2O, 95% H2O U-15N,13C95% H2O/5% D2O5.5ambient298
5GFT (4,3)D HCCH5-5.5mM CaCl2, 100mM NaCl, 20mM NH4OAc, 10mM DTT, 0.02% NaN3, pH 5.5, 5% D2O, 95% H2O U-15N,13C95% H2O/5% D2O5.5ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA750
2VarianINOVA600
NMR Refinement
MethodDetailsSoftware
simulated annealing molecular dynamics torsion angle dynamicsVNMR
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (fewest violations)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionVNMR6.1c
2processingNMRPipe2.3Delaglio, F
3data analysisAutoAssign1.15.1Moseley, H.
4data analysisAutoStructure2.0HUANG, Y.J.
5structure solutionCYANA2.1GUNTERT, P.
6refinementCNS1.1Brunger, A.T.