Computational protocol: High-level expression and characterization of a novel cutinase from Malbranchea cinnamomea suitable for butyl butyrate production

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Protocol publication

[…] Crystallization experiments were set up using the sitting-drop vapor diffusion method according to Qin et al. []. Crystals suitable for diffraction were grown in drops containing 0.2 M KCl and 20% polyethylene glycol 3350. Diffraction data of McCut were collected at beamline BL17U at Shanghai Synchrotron Research Facility (SSRF). The data were indexed, integrated, and scaled using the program HKL-2000 [].The structure of McCut was determined by molecular replacement using the coordinates of A. oryzae cutinase (PDB ID: 3GBS). The structure model was built and refined with the Phenix suite []. The detailed statistics of data collection and refinement are shown in Table . […]

Pipeline specifications

Software tools HKL-2000, PHENIX
Application Protein structure analysis
Organisms Komagataella pastoris, Aspergillus oryzae