1EQ1 | pdb_00001eq1

NMR STRUCTURE OF AN EXCHANGEABLE APOLIPOPROTEIN-MANDUCA SEXTA APOLIPOPHORIN-III


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY0.8-1.2 mM U-15N, 13C double labeld L-apoLp-III; 200 mM phosphate buffer, 0.5 mM NaN3, DSS95% H2O/5% D2O6.41 atm303
23D_13C-separated_NOESY0.8-1.2 mM U-15N, 13C double labeld L-apoLp-III; 200 mM phosphate buffer, 0.5 mM NaN3, DSS95% H2O/5% D2O6.41 atm303
32D NOESY0.8-1.2 mM U-15N, 13C double labeld L-apoLp-III; 200 mM phosphate buffer, 0.5 mM NaN3, DSS95% H2O/5% D2O6.41 atm303
4HNHA0.8-1.2 mM U-15N, 13C double labeld L-apoLp-III; 200 mM phosphate buffer, 0.5 mM NaN3, DSS95% H2O/5% D2O6.41 atm303
54D_13C-separated_NOESY0.8-1.2 mM U-15N, 13C double labeld L-apoLp-III; 200 mM phosphate buffer, 0.5 mM NaN3, DSS95% H2O/5% D2O6.41 atm303
64D_13C/15N-separated_NOESY0.8-1.2 mM U-15N, 13C double labeld L-apoLp-III; 200 mM phosphate buffer, 0.5 mM NaN3, DSS95% H2O/5% D2O6.41 atm303
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA500
2VarianINOVA600
NMR Refinement
MethodDetailsSoftware
simulated annealingThe structures are based on a total of 2365 restraints, including 2257 NOE-direvied distance restraints and 108 dihedral angle restraints.VNMR
NMR Ensemble Information
Conformer Selection Criteriastructures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy, target function
Conformers Calculated Total Number40
Conformers Submitted Total Number25
Representative Model2 (closest to the average, fewest violations)
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionVNMR6.1BVarian
2data analysisNMRPipeDelaglio, Garrett
3structure solutionX-PLOR3.1Brunger
4refinementX-PLOR3.1Brunger