Re: [ccp4bb] Partially occupied C-terminus

2019-01-18 Thread Norbert Straeter
Dear Lea and Andreas, given the excellent resolution, it might be possible to check the densities to decide if hydrolysis is the more likely cause. If the negative density starts more or less sharply after the C-terminal carboxylate group of the cleaved terminus (i.e. after the peptide nitrogen

Re: [ccp4bb] Partially occupied C-terminus

2019-01-17 Thread Wim Burmeister
Hello, can you do some ES-mass spectrometry on your sample ? There may be a truncated form in the sample and in this case the occupancy refined C-terminus would be a good solution. Otherwise I would invent an alternative conformation with 30 % occupancy and assign ver

[ccp4bb] Partially occupied C-terminus

2019-01-17 Thread Andreas Heine
Dear CCP4-BB, after refining a fairly high resolution aldose reductase structure (0.96 A) we observed negative Fo-Fc density (-3.0 sigma) for the three C-terminal residues (314-316). However, the 2Fo-Fc density clearly showed the position of these residues without indication of a second c