This 3D model (available as Supplementary data) could be used as C1-dictionary data for structural refinement, protein docking or structure-based design.
REFMAC537 was used for structural refinement.
The structural refinement was performed by the PHENIX and COOT software68,69.
The density map is obtained by structural refinement of multiple datasets based on three-dimensional classification.
After several cycles of manual model building and structural refinement, the electron density corresponding to the inhibitor was clearly observed.
Gill was an innovator in the construction and structural refinement of buildings using reinforced concrete.
This differential labeling strategy was essential for structural refinement and can be applied to other acylated proteins.
Phenix55 and Coot56 were employed for molecular replacement (starting models for CpI and HydA1 were 4XDC19 and 3LX436 respectively) and structural refinement.
Brahlek, M., Choquette, A. K., Smith, C. R., Engel-Herbert, R. & May, S. J. Structural refinement of Pbnm-type perovskite films from analysis of half-order diffraction peaks.
Structural refinement and energy minimization of the predicted model was carried out using Maestro 9.0.
Structural refinement, luminescence property, color tuning and thermally stability were systematically investigated.
