Factors influencing estimates of coordinate error for molecular replacement.

Kaushik S Hatti, Airlie J McCoy, Robert D Oeffner, Massimo D Sammito & Randy J Read
Good prior estimates of the effective root-mean-square deviation (r.m.s.d.) between the atomic coordinates of the model and the target optimize the signal in molecular replacement, thereby increasing the success rate in difficult cases. Previous studies using protein structures solved by X-ray crystallography as models showed that optimal error estimates (refined after structure solution) were correlated with the sequence identity between the model and target, and with the number of residues in the model. Here, this...
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