Hi all,
while validating X-ray structure using Molprobity (web service), we got
systematic outlier flags on CE1-NE2 distance in histidines. The distance
is 1.36A.
I have tested it also using high resolution lysozyme structure, I have
laying around. There the distance refines as 1.31A and Molprobity is
happy, but when Bong Angels are called in Coot (Regularize zone button
:-)) the bond length goes to 1.36A and Molprobity is unhappy again.
So I would like to ask, who is right or where else the problem can be.
Best regards,
Jan
P.S. CCP4 is version 8.0.002
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