1JNJ

NMR solution structure of the human beta2-microglobulin


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D_NOESY0.68 mM beta2-m; 70 mM phosphate buffer NA, 100 mM NaCl.90% H2O/10% D2O100 mM NaCl, 70 mM phosphate buffer6.4ambient310
22D_NOESY0.37 mM beta2-m; 70 mM phosphate buffer NA, 100 mM NaCl.100% D2O100 mM NaCl, 70 mM phosphate buffer6.4ambient310
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE500
NMR Refinement
MethodDetailsSoftware
simulated annealing, restrained molecular dynamics, restrained molecular mechanicsthe structures are based on a total of 1608 restraints, 1541 are NOE-derived distance contraints, 67 dihedral angle restraintsXwinNMR
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number380
Conformers Submitted Total Number20
Additional NMR Experimental Information
DetailsThis structure was determined using standard 2D homonuclear techniques
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionXwinNMR2.6Bruker
2processingFelix2000MSI
3data analysisFelix2000MSI
4structure solutionDIANA1.5Guentert
5refinementDiscover2000MSI