2DNU

Solution structure of RSGI RUH-061, a SH3 domain from human


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
13D_15N-separated_NOESY1.12mM RUH-061 U-15N,13C; 20mM Tris U-2H; 100mM NaCl; 1mM DTT U-2H; 0.02% NaN3; 90% H2O, 10% D2O90% H2O/10% D2O100mM NaCl7.0ambient298
23D_13C-separated_NOESY1.12mM RUH-061 U-15N,13C; 20mM Tris U-2H; 100mM NaCl; 1mM DTT U-2H; 0.02% NaN3; 90% H2O, 10% D2O90% H2O/10% D2O100mM NaCl7.0ambient298
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1VarianINOVA800
2JEOLECA700
NMR Refinement
MethodDetailsSoftware
simulated annealing, torsion angle dynamicsVNMR
NMR Ensemble Information
Conformer Selection CriteriaThe submitted conformer models are those with the lowest number of target function
Conformers Calculated Total Number100
Conformers Submitted Total Number20
Representative Model1 (lower target function)
Additional NMR Experimental Information
Detailsspectrometer_id 1 is for experiment_id 1, spectrometer_id 2 is for experiment_id 2
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1collectionVNMR6.1CVarian
2collectionDelta NMR4.3.2JEOL
3processingNMRPipe20031121Delaglio, F.
4data analysisNMRView5.0.4Johnson, B.A.
5data analysisKUJIRA0.9741Kobayashi, N.
6structure solutionCYANA2.0.17guntert, P.
7refinementCYANA2.0.17guntert, P.