1C05

SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN S4 DELTA 41, REFINED WITH DIPOLAR COUPLINGS (MINIMIZED AVERAGE STRUCTURE)


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY1.1 mM S4 delta 41, U-15N,13C; 20 mM d4-acetate pH 5.4, 250 mM KCl, 0.1 mM sodium azide94% H2O, 6% D2O250 mM KCl5.41 atm310
23D_13C-separated_NOESY0.45 mM S4 delta 41, U-15N,13C; 20 mM d4-acetate pH 5.4, 250 mM KCl99.9% D2O250 mM KCl5.41 atm310
34D_13C-separated_NOESY0.45 mM S4 delta 41, U-15N,13C; 20 mM d4-acetate pH 5.4, 250 mM KCl99.9% D2O250 mM KCl5.41 atm310
4HNHA1.1 mM S4 delta 41, U-15N,13C; 20 mM d4-acetate pH 5.4, 250 mM KCl, 0.1 mM sodium azide94% H2O, 6% D2O250 mM KCl5.41 atm310
5IPAP 15N HSQC0.10 mM S4 delta 41, U-15N; 7 mM d4-acetate pH 5.4, 7 mM KH2PO4 pH 6.5, 80 mM KCl, 5% w/v DMPC:DHPC (3:1)93% H2O/7% D2O80 mM KCl6.01 atm310
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX750
2BrukerDMX500
NMR Refinement
MethodDetailsSoftware
hybrid DGSA protocol without the dipolar coupling restraints followed by additional SA with the dipolar coupling restraints addSUMMARY OF RESTRAINTS: 2170 NOE, 86 HYDROGEN BOND, 114 DIHEDRAL ANGLE, AND 101 DIPOLAR COUPLINGSXwinNMR
NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number1
Representative Model1 (minimized average structure)
Additional NMR Experimental Information
DetailsThis structure was determined with NOE restraints from multidimensional heteronuclear experiments, dihedral angle restraints based on measurements of scalar coupling constants, and dipolar coupling restraints measured on samples in partially aligned phases.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionXwinNMR2.5BRUKER
2structure solutionNMRPipe1.7DELAGLIO
3structure solutionPIPP4.2.8GARRETT
4refinementX-PLOR3.8, 4.0BRUNGER