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[ccp4bb]: Error in Protin
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I am trying to solve the structure of a protein molecule that is a
homodimer. There are two molecules (one dimer) per asymmetric unit with a
non-crystallographic two-fold axis.
The protein chain has a break with a few missing residues. As I do
protin (ccp4 v. 3.5), I get the following error:
"PROTIN: Check above for ***ERROR messages"
The error messages are
1) "**** ERROR ****
Atom Name OT Given for Residue No. 114 is not among those in the
standard table for the ALA Group. ATOM OMITTED."
- for both chains
2) "***ERROR: No atoms used for this Non-crystallographic symmetry"
- for the second chain.
The questions are:
1) Why do I get the 1st error? I tried both OXT and OT1 card for the 114th
(last residue). But still the error.
2) I gave the NONX card for NCS restraint but still I get error (2) as
3) Are these errors due to the chain break? i.e. does it become a
tetramer instead of a dimer? If yes, do we have to define the NONX
restrain (for NCS) for four chains instead of two now?
Thanks in advance for all help,