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Table 1 Model input parameters used to establish a base scenario for enzymatic cellulose hydrolysis. Kinetic values were obtained from the reported activities of Trichoderma reesei cellulases.

From: A cellular automaton model of crystalline cellulose hydrolysis by cellulases

Parameter and units Value Parameter and units Value
Cellulose rod dimensions (glucose residues) 30 × 30 × 150 EG adsorption strength 9,999
EG, CBHI and CBHII adsorption probabilities (%) 90 CBHI adsorption strength 9,999
EG concentration (mM) 800a CBHII adsorption strength 9,999
CBHI concentration (mM) 2,000a Ki CBHI-cellobiose (mM) 1.6d
CBHII concentration (mM) 600a Ki CBHII-cellobiose (mM) 1.6d
BG concentration (mM) 20a Ki EG-cellobiose (mM) 11d
EG walk period (ms) 1b Km BG-cellobiose (mM) 0.5e,f
CBHI walk period (ms) 1b kcat BG-cellobiose (s-1)h 40e
CBHII walk period (ms) 1b Ki BG-glucose (mM) 0.5f
EG activity periodg/s.d. (ms) 100/1 Timesteps 150,000
CBHI activity period/s.d. (ms) 500/1c,d Iterations per sample 100
CBHII activity period/s.d. (ms) 500/1c,d Maximum model life (s) 150
CBHI processivity/s.d. (reactions) 100/20 c Sample period (ms) 250
CBHII processivity/s.d. (reactions) 100/20 c EG, CBHI, CBHII and BG lifetime (s) 0 (infinite)
  1. The following values were taken from or extrapolated from these literature sources: a [60]; b [34]; c [36]; d [58]; e [57]; f [59]; g activity period = 1/kcat for enzyme activities against solid substrates; h kcat values given for BG only, EG and CBH solution activities = 0 for the base case. BG: β-glucosidase; CBH: cellobiohydrolase; EG: endoglucanase; s.d.: standard deviation.