1T6W

RATIONAL DESIGN OF A CALCIUM-BINDING ADHESION PROTEIN NMR, 20 STRUCTURES


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D NOESY95% H2O, 5% D2O, protein 1 mM, KCl 130 mM, CaCl2 10 mM, PIPES 20 mM95% H2O/5% D2O6.81 atm298
22D TOCSY95% H2O, 5% D2O, protein 1 mM, KCl 130 mM, CaCl2 10 mM, PIPES 20 mM95% H2O/5% D2O6.81 atm298
33D_15N-separated_NOESY95% H2O, 5% D2O, protein 1 mM, KCl 130 mM, CaCl2 10 mM, PIPES 20 mM95% H2O/5% D2O6.81 atm298
43D_15N-separated_TOCSY95% H2O, 5% D2O, protein 1 mM, KCl 130 mM, CaCl2 10 mM, PIPES 20 mM95% H2O/5% D2O6.81 atm298
515N-HSQC95% H2O, 5% D2O, protein 1 mM, KCl 130 mM, CaCl2 10 mM, PIPES 20 mM95% H2O/5% D2O6.81 atm298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
NMR Refinement
MethodDetailsSoftware
ANNEALCNS
NMR Ensemble Information
Conformer Selection Criteriastructures with the least restraint violations,structures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementCNS1.1BRUNGER
2structure solutionCNS1.1BRUNGER