1EO1 | pdb_00001eo1

Solution structure of hypothetical protein MTH1175 from Methanobacterium thermoautotrophicum


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
14D_13C-separated_NOESY2 mM MTH1175 U-15N; 25 mM phosphate buffer, pH* 6.1, 150 mM NaCl99% D2O150 mM salt, 25 mM phosphate buffer6.5ambient298
23D_15N-separated_NOESY2 mM MTH1175 U-15N; 25 mM phosphate buffer, pH 6.5, 150 mM NaCl, 90% H2O, 10% D2O90% H2O/10% D2O150 mM salt, 25 mM phosphate buffer6.5ambient298
3HNHA2 mM MTH1175 U-15N; 25 mM phosphate buffer, pH 6.5, 150 mM NaCl, 90% H2O, 10% D2O90% H2O/10% D2O150 mM salt, 25 mM phosphate buffer6.5ambient298
43D_13C,15N-simultaneous NOESY2 mM MTH1175 U-15N,13C; 25 mM phosphate buffer, pH 6.5, 150 mM NaCl, 90% H2O, 10% D2O90% H2O/10% D2O150 mM salt, 25 mM phosphate buffer6.5ambient298
51H-15N HSQC D2O exchange150 mM salt, 25 mM phosphate buffer6.5ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA800
2VarianINOVA750
3VarianINOVA600
4VarianUNITYPLUS500
NMR Refinement
MethodDetailsSoftware
distance geometry and simulated annealing436 NOE-derived distance constraints, 40 dihedral angle constraints (phi), 58 hydrogen bonds (2 constraints per H-bond)X-PLOR
NMR Ensemble Information
Conformer Selection Criteriaall calculated structures submitted
Conformers Calculated Total Number20
Conformers Submitted Total Number20
Representative Model10 (fewest violations)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementX-PLOR3.1Brunger
2processingFelix98MSI
3collectionVNMRVarian
4structure solutionX-PLOR3.1