2HG7 | pdb_00002hg7

Solution NMR structure of Phage-like element PBSX protein xkdW, Northeast Structural Genomics Consortium Target SR355


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY0.02% NaN3, 100mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES, pH 6.5, 95% H2O, 5% D2O95% H2O/5% D2On.a.6.5ambient298
2GFT (4,3)D HNNCABCA0.02% NaN3, 100mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES, pH 6.5, 95% H2O, 5% D2O95% H2O/5% D2On.a.6.5ambient298
3GFT (4,3)D CABCA(CO)NHN0.02% NaN3, 100mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES, pH 6.5, 95% H2O, 5% D2O95% H2O/5% D2On.a.6.5ambient298
4GFT (4,3)D HABCAB(CO)NHN0.02% NaN3, 100mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES, pH 6.5, 95% H2O, 5% D2O95% H2O/5% D2On.a.6.5ambient298
5GFT (4,3)D HCCH0.02% NaN3, 100mM DTT, 5mM CaCl2, 100mM NaCl, 20mM MES, pH 6.5, 95% H2O, 5% D2O95% H2O/5% D2On.a.6.5ambient298
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
1collectionVNMR6.1cVarian
2processingNMRPipe2.3Delaglio, F
3data analysisAutoAssign1.15.1Moseley, H.
4data analysisAutoStructure2.0HUANG, Y.J.
5structure solutionCYANA21GUNTERT
6refinementCNS1.1Brunger, A.T.