1EF5 | pdb_00001ef5

SOLUTION STRUCTURE OF THE RAS-BINDING DOMAIN OF RGL


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY1.5mM RGL-RBD U-15N,13C; 50mM Tris-HCl; 5mM DTT; 10mM MgCl2; 200mM NaCl; 90% H2O, 10% D2O90% H2O/10% D2O200mM7.51 atm298
23D_15N-separated_NOESY1.5mM RGL-RBD U-15N,13C; 50mM Tris-HCl; 5mM DTT; 10mM MgCl2; 200mM NaCl; 90% H2O, 10% D2O90% H2O/10% D2O200mM7.51 atm298
3HNHB1.5mM RGL-RBD U-15N,13C; 50mM Tris-HCl; 5mM DTT; 10mM MgCl2; 200mM NaCl; 90% H2O, 10% D2O90% H2O/10% D2O200mM7.51 atm298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAMX600
2BrukerDMX500
NMR Refinement
MethodDetailsSoftware
simulated annealingthe structures are based on a total of 1309 restraints, 1211 are NOE-derived distance constraints, 56 dihedral angle restraints, 42 distance restraints from hydrogen bonds. N-terminal residues 632-646 are not defined by NMR restraints and excluded from the coordinate file.UXNMR
NMR Ensemble Information
Conformer Selection Criteria
Conformers Calculated Total Number
Conformers Submitted Total Number1
Representative Model (minimized average structure)
Additional NMR Experimental Information
DetailsThe structure was determined using triple-resonance NMR spectroscopy.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionUXNMRBruker, AG.
2collectionXwinNMR1.3Bruker, AG.
3processingAzara1.0Boucher
4data analysisFelix95MSI, Inc.
5structure solutionX-PLOR3.1Brunger
6refinementX-PLOR3.1Brunger