1K9C

Solution Structure of Calreticulin P-domain subdomain (residues 189-261)


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY3 mM CALRETICULIN P-DOMAIN SUBDOMAIN; 10 mM CaCl2; 95% H20; 5% D2095% H20; 5% D2010 mM CaCl26.3ambient293.4
23D_combined 13C/15N-separated NOESY3 mM CALRETICULIN P-DOMAIN SUBDOMAIN; 10 mM CaCl2; 95% H20; 5% D2095% H20; 5% D2010 mM CaCl26.3ambient293.4
33D HNCACB3 mM CALRETICULIN P-DOMAIN SUBDOMAIN; 10 mM CaCl2; 95% H20; 5% D2095% H20; 5% D2010 mM CaCl26.3ambient293.4
43D CBCA(CO)NH3 mM CALRETICULIN P-DOMAIN SUBDOMAIN; 10 mM CaCl2; 95% H20; 5% D2095% H20; 5% D2010 mM CaCl26.3ambient293.4
53D ct-HCCH-TOCSY3 mM CALRETICULIN P-DOMAIN SUBDOMAIN; 10 mM CaCl2; 95% H20; 5% D2095% H20; 5% D2010 mM CaCl26.3ambient293.4
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDRX600
2BrukerDRX750
3BrukerDRX800
NMR Refinement
MethodDetailsSoftware
torsion angle dynamics, simulated annealingXwinNMR
NMR Ensemble Information
Conformer Selection Criteriatarget function
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (closest to the average)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionXwinNMR2.6Bruker
2structure solutionDYANA1.68Guentert
3refinementDYANA1.68Guentert