2HFQ

NMR structure of protein NE1680 from Nitrosomonas europaea: Northeast Structural Genomics Consortium target NeT5


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY1 mM NE1680 U-13C,15N; 10mM MOPS, 450 mM NaCl, 10 mM DTT, 0.01% NaN3, pH 6.590% H20, 10% D2O450 mM NaCl6.5ambient298
23D_15N-separated_NOESY1 mM NE1680 U-13C,15N; 10mM MOPS, 450 mM NaCl, 10 mM DTT, 0.01% NaN3, pH 6.590% H20, 10% D2O450 mM NaCl6.5ambient298
33D_13C-separated_NOESY1 mM NE1680 U-13C,15N; 10mM MOPS, 450 mM NaCl, 10 mM DTT, 0.01% NaN3, pH 6.5100% D2O450 mM NaCl6.5ambient298
44D_13C-separated_NOESY1 mM NE1680 U-13C,15N; 10mM MOPS, 450 mM NaCl, 10 mM DTT, 0.01% NaN3, pH 6.5100% D2O450 mM NaCl6.5ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
2VarianINOVA750
3VarianINOVA900
NMR Refinement
MethodDetailsSoftware
The structure was determined using AutoStructure and refined manuallyFelix
NMR Ensemble Information
Conformer Selection Criteriaall calculated structures submitted
Conformers Calculated Total Number20
Conformers Submitted Total Number20
Representative Model1 (low energy, few violations, good geometry)
Additional NMR Experimental Information
DetailsThe sample contains a 22 residue N-term tag, and a two residue C-term cloning artifact. No coordinates for these unstructured residues were included. The sample also contains an apparent mutation at position 61, where the reported glutamine was found to be glutamic acid.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingFelix97
2data analysisSparky3.106
3structure solutionAutoStructure2.1.1
4collectionVNMR6.1C
5refinementCNS1.1BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN
6refinementXPLOR-NIHC.D.SCHWIETERS,J.J.KUSZEWSKI,N.TJANDRA,G.MARIUS CLORE