1zsg Experiments and Validation

Solution NMR

Source organism: Homo sapiens
Refinement method: simluated annealing with torsion angle dynamics followed by Cartesian dynamics cooling
Number of deposited models: 30 models

Sample information

Author description:
beta PIX-SH3 complexed with an atypical peptide from alpha-PAK
Source organism: Homo sapiens
Expression systems:
  • Not provided
  • Escherichia coli BL21(DE3)

Validation information

 
Structure ensemble information
Refinement method: simluated annealing with torsion angle dynamics followed by Cartesian dynamics cooling
Number of calculated models: 100
Number of deposited models: 30 (structures with the lowest energy)
Representative model: 1 (closest to the average)

Experimental information

Sample 1
Contents: 1mM 15N labelled PIX-SH3 complexed with 1.2 mM peptide in 20 mM Na2HPO4/NaH2PO4, pH 7.3, 100mM Na2SO4, 0.05% NaN3, 90% H2O, 10% D2O Recorded spectra: 3D_15N-separated_NOESY

Sample 2
Contents: 1mM 15N,13C labelled PIX-SH3 complexed with 1.2 mM peptide in 20 mM Na2HPO4/NaH2PO4, pH 7.3, 100mM Na2SO4, 0.05% NaN3, 90% H2O, 10% D2O Recorded spectra: 13C,15N-filtered, 13C-separated NOESY, 3D_13C-separated_NOESY

Samples and spectra
NMR spectrometers used
Bruker DRX 600 MHz, Bruker DRX 800 MHz