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Figure 4
The sites of specific radiation damage present in the first two data sets of the radiation damage series collected from a crystal of acetyl­cholinesterase by Weik et al. (2000BB19) are detected by RABDAM. (a) The Fobs (data set 1) − Fcalc (data set 1) difference map, contoured at ±3σ in green/red. (b) The acetyl­cholinesterase structure coloured by BDamage from blue (= low) through green to red (= high), also highlighting the individual BDamage values of the cystine side chain atoms. The pattern of damage to the three intrachain di­sulfide bonds of acetyl­cholinesterase detected in (a) correlates with the BDamage values calculated in (b). All molecular graphics images were rendered using CCP4mg (McNicholas et al., 2011BB10).

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