2NNZ

Solution structure of the hypothetical protein AF2241 from Archaeoglobus fulgidus


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_13C-separated_NOESY0.3mM AF2241 U-15N,13C, 10mM MOPS buffer, 450mM NaCl, 10uM Zn2+, 10mM DTT, 1mM benzamidine, 1x inhibitor mixture, 0.01% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O450 mM NaCl6.51 atm298
23D_15N-separated_NOESY0.3mM AF2241 U-15N,13C, 10mM MOPS buffer, 450mM NaCl, 10uM Zn2+, 10mM DTT, 1mM benzamidine, 1x inhibitor mixture, 0.01% NaN3, 90% H2O, 10% D2O90% H2O/10% D2O450 mM NaCl6.51 atm298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA600
NMR Refinement
MethodDetailsSoftware
simulated annealing, torsion angle dynamicsThe structures are based on a total of 1463 restraints, 1313 are NOE-derived distance constraints and 150 are dihedral angle restraintsCNS
NMR Ensemble Information
Conformer Selection Criteriaall calculated structures submitted
Conformers Calculated Total Number20
Conformers Submitted Total Number20
Representative Model1 (closest to the average)
Additional NMR Experimental Information
DetailsThe structure was determined using standard 3D heteronuclear techniques
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionCNS1.1Brunger, A.T. et al.
2refinementCNS1.1Brunger, A.T. et al.