1.11.1.B2 enzyme crystal structure analysis, PDB ID 1IDQ. Computational modeling is performed using a combination of molecular mechanics (MM), molecular dynamics (MD), and density functional theory (DFT) calculations on cluster models 1.11.1.B2 vapor diffusion method. High-resolution crystal structure (1.5 A resolution) of the reaction of the phosphate monoester p-nitrophenylphosphate with apo-VCPO exhibits a trapped intermediate of the phosphohydrolase reaction