1T4Z | pdb_00001t4z

Solution structure of the N-terminal domain of Synechococcus elongatus SasA (25-structures ensemble)


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
14D_13C/15N-separated_NOESY0.8mM N-SasA U-15N, 13C, 20mM phosphate buffer pH 7.0, 100mM NaCl, 95% H2O, 5% D2O95% H2O/5% D2O100 mM NaCl, 20 mM NaPi7.0ambient298
24D_13C-separated_NOESY0.8mM N-SasA U-15N, 13C, 20mM phosphate buffer pH 7.0, 100mM NaCl100% D2O100 mM NaCl, 20 mM NaPi7.0ambient298
33D_15N-separated_NOESY0.8mM N-SasA U-15N, 20mM phosphate buffer pH 7.0, 100mM NaCl, 95% H2O, 5% D2O95% H2O/5% D2O100 mM NaCl, 20 mM NaPi7.0ambient298
4HNHA0.8mM N-SasA U-15N, 20mM phosphate buffer pH 7.0, 100mM NaCl, 95% H2O, 5% D2O95% H2O/5% D2O100 mM NaCl, 20 mM NaPi7.0ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
2VarianINOVA500
NMR Refinement
MethodDetailsSoftware
distance geometry, simulated annealing, slow refinement in the presence of database potentialsThe structure is based on 2267 restraints, 1764 were NOE, 197 dihedral angles, 71 couplings, 198 chemical shifts and 34 hydrogen bondsVNMR
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number50
Conformers Submitted Total Number25
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsThe structure was determined using triple-resonance NMR spectroscopy.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionVNMR6.1 Rev. CVarian Assoc.
2processingNMRPipe2.1 Rev. 2002.044.17.08Delaglio
3data analysisPIPP4.2.6Garrett
4structure solutionXPLOR-NIH2.9.1Clore, Kuszewski
5refinementXPLOR-NIH2.9.1Clore, Kuszewski