Dear CCP4 community,

I would like to ask a question regarding determining the precision of bond lengths and angles in a protein crystal structure.

 

I am currently analysing the bond lengths and angles of the Zn-ligand coordination bonds in some Zn-binding protein crystal structures. For the bond length/angle values, I intended to keep two decimal places for the bond lengths and one decimal place for the bond angles. But is it really justified to quote the values to that precision? Also, how do you usually determine the appropriate precision (how many decimal places to keep) when reporting bond lengths/angles values at a given resolution?

 

Any advice would be greatly appreciated. Thanks very much in advance.

Best wishes,

Zhen