1S24

Rubredoxin domain II from Pseudomonas oleovorans


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1DQF-COSY10mM Rubredoxin C-terminal domain; 20 mM potassium phosphate buffer, 10mM Cd(II)90% H2O/10% D2O40mM6.01 atm298
2DQF-COSY10mM Rubredoxin C-terminal domain; 20 mM potassium phosphate buffer, 10mM Cd(II)90% H2O/10% D2O40mM6.01 atm310
32D TOCSY10mM Rubredoxin C-terminal domain; 20 mM potassium phosphate buffer, 10mM Cd(II)90% H2O/10% D2O40mM6.01 atm298
42D TOCSY10mM Rubredoxin C-terminal domain; 20 mM potassium phosphate buffer, 10mM Cd(II)90% H2O/10% D2O40mM6.01 atm310
52D TOCSY10mM Rubredoxin C-terminal domain; 20 mM potassium phosphate buffer, 10mM Cd(II)90% H2O/10% D2O40mM7.61 atm298
62D TOCSY10mM Rubredoxin C-terminal domain; 20 mM potassium phosphate buffer, 10mM Cd(II)90% H2O/10% D2O40mM7.61 atm310
72D NOESY10mM Rubredoxin C-terminal domain; 20 mM potassium phosphate buffer, 10mM Cd(II)90% H2O/10% D2O40mM6.01 atm298
82D NOESY10mM Rubredoxin C-terminal domain; 20 mM potassium phosphate buffer, 10mM Cd(II)90% H2O/10% D2O40mM6.01 atm310
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerDMX500
NMR Refinement
MethodDetailsSoftware
Aria protocol was used to deal with ambiguous distance restraints and some NOE assignment. Simulating annealing was used.XwinNMR
NMR Ensemble Information
Conformer Selection CriteriaThe submitted conformer models are the 20 structures with the lowest
Conformers Calculated Total Number20
Conformers Submitted Total Number20
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsThis structure was determined using standard 2D homonuclear techniques.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionXwinNMR3.0Bruker
2data analysisXwinNMR3.0Bruker
3processingCNS1.0Nilges
4structure solutionCNS1.0Nilges
5refinementCNS1.0Nilges