2A36

Solution structure of the N-terminal SH3 domain of DRK


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
12D 200 ms NOESY1MM DRKN SH3 DOMAIN 15N,13C, 500 MM NA2SO4, 50 MM PHOSPHATE BUFFER, 90% H2O, 10% D2O90% H2O/10% D2O500mM6.01 atm293
23D 150 ms 15N-edited NOESY1MM DRKN SH3 DOMAIN 15N,13C, 500 MM NA2SO4, 50 MM PHOSPHATE BUFFER, 90% H2O, 10% D2O90% H2O/10% D2O500mM6.01 atm293
32D 150 ms NOESY1MM DRKN SH3 DOMAIN 15N,13C, 500 MM NA2SO4, 50 MM PHOSPHATE BUFFER, 90% H2O, 10% D2O90% H2O/10% D2O500mM6.01 atm293
41H/D amide exchange experiment1MM DRKN SH3 DOMAIN 15N,13C, 500 MM NA2SO4, 50 MM PHOSPHATE BUFFER, 90% H2O, 10% D2O90% H2O/10% D2O500mM6.01 atm293
5HNCO-based 3D experiments1MM DRKN SH3 DOMAIN 15N,13C, 500 MM NA2SO4, 50 MM PHOSPHATE BUFFER, 90% H2O, 10% D2O90% H2O/10% D2O500mM6.01 atm293
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA500
NMR Refinement
MethodDetailsSoftware
simulated annealingCNS
NMR Ensemble Information
Conformer Selection Criteriastructures with the lowest energy
Conformers Calculated Total Number100
Conformers Submitted Total Number10
Representative Model1 (lowest energy)
Additional NMR Experimental Information
DetailsHNCO-based 3D experiments were used for measuring 15N-1HN, 15N-13C', 13C'-13CA RDCs and C'-CSA restraints.13CA-13CB and 13CA-1HA RDCs were also measured.
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1structure solutionCNS1.0BRUNGER
2refinementCNS1.0BRUNGER