1SLJ | pdb_00001slj

Solution structure of the S1 domain of RNase E from E. coli


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY1.5mM RNase E S1 U-15N,13C; 20mM phosphate buffer; 50mM NaCl; 92% H2O, 8% D2O92% H2O, 8% D2O75mM6.5ambient303
23D_15N-separated_NOESY1.5mM RNase E S1 U-15N,13C; 20mM phosphate buffer; 50mM NaCl; 92% H2O, 8% D2O92% H2O, 8% D2O75mM6.5ambient303
33D_13C_15N/13C-separated_NOESY1.5mM RNase E S1 U-15N,13C; 20mM phosphate buffer; 50mM NaCl; 92% H2O, 8% D2O92% H2O, 8% D2O75mM6.5ambient303
43D_13C-separated_NOESY_aromatic1.5mM RNase E S1 U-15N,13C; 20mM phosphate buffer; 50mM NaCl; 92% H2O, 8% D2O92% H2O, 8% D2O75mM6.5ambient303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
2VarianUNITY500
NMR Refinement
MethodDetailsSoftware
simulated annealingThe structures are based on a total of 2884 restraints, including 2113 unambiguous and 597 ambiguous NOE-derived distance constraints, 159 dihedral angle restraints, 15 distance restraints from hydrogen bonds.NMRPipe
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number200
Conformers Submitted Total Number10
Representative Model4 (closest to the average)
Additional NMR Experimental Information
DetailsA mixing time of 100ms was used.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1processingNMRPipeDelaglio
2data analysisSparkyGoddard
3refinementARIA/CNSLinge