Integrated analysis with iCM-SANS, SAXS and MD simulations for dynamics of multi-domain proteins

Okuda A, Inoue R, Kurokawa M, Martel A, Porcar L, Osaki R, Fukuzawa K, Weiss K, Pingali S, Urade R, Sugiyama M
Journal of Applied Crystallography 59(4):1270-1281 (2026 Jul 29)

doi: 10.1107/S1600576726005832

Submitted to SASBDB: 2026 May 20 Published in SASBDB: 2026 Aug 5

SASDZT8 – Wild-type version of human protein disulfide-isomerase A3 (ER-60 h(WT)) Sample: Human protein disulfide-isomerase A3 monomer, 54 kDa Homo sapiens protein Buffer: 20 mM Tris-HCl buffer, 150 mM NaCl, 1mM CaCl2, pH: 8 Experiment: SAXS data collected at Rigaku NANOPIX, KURNS on 2024 Sep 27 RgGuinier 3.2 nm

SASDZU8 – Triple mutant of protein disulfide-isomerase A3 (D122N/I124L/R363N/Y364G; ER-60 h(a-bb’-a’)) Sample: Triple mutant of protein disulfide-isomerase A3 (D122N/I124L/R363N/Y364G) monomer, 54 kDa Homo sapiens protein Buffer: 20 mM Tris-HCl buffer, 150 mM NaCl, 1mM CaCl2, pH: 8 Experiment: SAXS data collected at Rigaku NANOPIX, KURNS on 2024 Sep 27 RgGuinier 3.2 nm

SASDZS8 – Segmental deuterated Protein disulfide-isomerase A3 comprising three point mutations (D122N/I124L/R363N/Y364G; ER-60 h(a)-pd(bb’)-h(a’)) Sample: Protein disulfide-isomerase A3 D122N/I124L/R363N/Y364G segmental deuterated monomer, 54 kDa Homo sapiens protein Buffer: 20 mM Tris-HCl buffer, 150 mM NaCl, 1mM CaCl2, pH: 8 Experiment: SAXS data collected at Rigaku NANOPIX, KURNS on 2024 Sep 27 RgGuinier 3.3 nm