[ccp4bb] Refmac resolution limit doesn't match data processing

2018-09-13 Thread Joël Benjamin Heim
Dear all,


for one of my projects Refmac (ccp4i2) shows a low resolution limit lower than 
Aimless, which I used for scaling. How is this possible? Since this causes 
problems for the pdb deposition, how can I fix it?


Best,

Joel



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[ccp4bb] Refmac refinement: reduced disulfides

2018-08-30 Thread Joël Benjamin Heim
Dear all,

I am refining structures containing disulfides using refmac. Many of the 
disulfides are partly broken due to radiation damage.

I tried modeling alternative conformations (i.e. one cysteine pair in a 
disulfide and the other pair as free thiols), but after refinement the reduced 
form is forced back to its original position forming a disulfide bridge and 
resulting in difference density in the fo-fc map.

How do I prevent a disulfide bond from being defined for the free thiol?



Best regards,

Joel Heim

University of Oslo



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