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. 2021 Sep 9;8(Pt 6):878–895. doi: 10.1107/S2052252521008125

(b) Parameters in equations (1)–(5) that were fitted to the respective refined occupancy values of CEF and Pi. The comparison of observed and calculated occupancies allows the determination of a diffusion coefficient D eff.

BlaC–CEF increase, (1) Pi decrease, (2) BlaC–CEF in the crystal center, (5)  
Observed Observed Sigmoidal increase D (cm2 s−1) for CEF, (3) and (4)
C S,CEF τ1/2 (ms) τ1/2 (ms) k (ms−1) t 0 (ms) Water D eff §
88% 4.6 6.7 0.3 13.1 2.3 × 10−6 2 × 10−7