2HGK

Solution NMR Structure of protein YqcC from E. coli: Northeast Structural Genomics Consortium target ER225


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY1 mM U-13C,15N YqcC, 20 mM MES, 100 mM NaCl, 10 mM DTT, 5 mM CaCl2, 0.02% NaN3, 5% D2O, 95% H2O95% H2O/5% D2O100 mM NaCl, 5 mM CaCl26.5ambient293
23D_13C-separated_NOESY1 mM U-13C,15N YqcC, 20 mM MES, 100 mM NaCl, 10 mM DTT, 5 mM CaCl2, 0.02% NaN3, 5% D2O, 95% H2O95% H2O/5% D2O100 mM NaCl, 5 mM CaCl26.5ambient293
33D_13C-separated_NOESY1 mM U-13C,15N YqcC, 20 mM MES, 100 mM NaCl, 10 mM DTT, 5 mM CaCl2, 0.02% NaN3100% D2O100 mM NaCl, 5 mM CaCl26.5ambient293
44D_13C-separated_NOESY1 mM U-13C,15N YqcC, 20 mM MES, 100 mM NaCl, 10 mM DTT, 5 mM CaCl2, 0.02% NaN3100% D2O100 mM NaCl, 5 mM CaCl26.5ambient293
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
2VarianINOVA750
3VarianINOVA800
4VarianINOVA900
NMR Refinement
MethodDetailsSoftware
The structure was solved automatically using AutoStructure, and refined manually with Xplor and CNSFelix
NMR Ensemble Information
Conformer Selection Criterialowest energy and fewest restraint violations
Conformers Calculated Total Number30
Conformers Submitted Total Number20
Representative Model1 (fewest violations, good geometry, low energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingFelix97MSI
2collectionVNMR6.1CVarian
3refinementX-PLORNIHBrunger, A.T.
4refinementCNS1.1Brunger, A.T.
5data analysisSparky3.106Goddard, T.
6structure solutionAutoStructure2.1.1Huang, J., and Montelione, G.