1AZE | pdb_00001aze

NMR STRUCTURE OF THE COMPLEX BETWEEN THE C32S-Y7V MUTANT OF THE NSH3 DOMAIN OF GRB2 WITH A PEPTIDE FROM SOS, 10 STRUCTURES


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
1NOESYH2O, PHOSPHATE BUFFER 20MM, NACL 100MMNACL 100mM6.01 atm293
2TOCSYH2O, PHOSPHATE BUFFER 20MM, NACL 100MMNACL 100mM6.01 atm293
3COSYH2O, PHOSPHATE BUFFER 20MM, NACL 100MMNACL 100mM6.01 atm293
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAMX600600
NMR Refinement
MethodDetailsSoftware
SIMULATED ANNEALING ENERGY MINIMIZATIONDiscover
NMR Ensemble Information
Conformer Selection CriteriaBEST ENERGY, LEAST RESTRAINT VIOLATION
Conformers Calculated Total Number50
Conformers Submitted Total Number10
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementDiscover2.95BIOSYM
2structure solutionBRUKER UXNMR + DISCOVERDISCOVER