Re: [ccp4bb] Negative CCanom

+ negative noise somehow. Just again, if there is a significant anomalous signal, then CCanom behaves as one would expect, positive at low res, decaying at medium res and 0+-noise at high res. Cheers, Jose. Jose Antonio Cuesta-Seijo, PhD Carlsberg Laboratory Gamle

Re: [ccp4bb] Cleaved peptide density!

to co-crystallize our enzymes in tiny solutions at several mg/ml for several weeks, which is akin to asking 0.1% activities to show their ugly heads. Cheers, Jose. Jose Antonio Cuesta-Seijo, PhD Carlsberg Laboratory Gamle Carlsberg Vej 10 DK-1799 Copenhagen V

Re: [ccp4bb] Poor resolution

info in that sense too). Depending on the question, 3.0Å is enough, and you can refine and get your structure using more or less standard methods. Cheers, Jose. Jose Antonio Cuesta-Seijo, PhD Carlsberg Laboratory Gamle Carlsberg Vej 10 DK-1799 Copenhagen V

Re: [ccp4bb] Cis-peptide bond checking

-proline cis peptides? 0.x%? P.S: guilty as any, I just found one such error in one of my structures. Cheers, Jose. Jose Antonio Cuesta-Seijo, PhD Carlsberg Laboratory Gamle Carlsberg Vej 10 DK-1799 Copenhagen V Denmark Tlf +45 3327 5332 Email josea.cuesta.se

Re: [ccp4bb] chloride or water

experience any almost spherical cavity or any almost cylindrical crevice has a blob of difference density inside, which often proves to be very difficult to model. I have no hard data to back this up. Cheers, Jose. Jose Antonio Cuesta-Seijo, PhD Carlsberg

Re: [ccp4bb] making sure related molecules occupy the same space

through rebuilding, and the resulting model can (normally) be used directly for refinement behaving as your original one. Jose Antonio Cuesta-Seijo, PhD Carlsberg Laboratory Gamle Carlsberg Vej 10 DK-1799 Copenhagen V Denmark Tlf +45 3327 5332 Email josea.cuesta.se

Re: [ccp4bb] making sure related molecules occupy the same space

Correction: that won’t fix any origin issues, only cell and assymetric unit. Jose Antonio Cuesta-Seijo, PhD Carlsberg Laboratory Gamle Carlsberg Vej 10 DK-1799 Copenhagen V Denmark Tlf +45 3327 5332 Email josea.cuesta.se...@carlsberglab.dkmailto:josea.cuesta.se

[ccp4bb] Compounded problems for molecular replacement

. I plan to let autotracing programs be the judge of success, but I am not sure of how well those can deal with twinning. Can Arp-Warp use twinned data? Thanks in advance for any tips. Jose. Jose Antonio Cuesta-Seijo, PhD Carlsberg Laboratory

Re: [ccp4bb] How to identify unknow heavy atom??

Shameless self plug: http://scripts.iucr.org/cgi-bin/paper?fw5057 That was done with a crappy crystal in a relatively weak beamline. With a good crystal one can get cleaner data. Cheers. Jose. Jose Antonio Cuesta-Seijo, PhD Carlsberg

[ccp4bb] TCEP resistant disulfide

Cuesta-Seijo, PhD Carlsberg Laboratory Gamle Carlsberg Vej 10 DK-1799 Copenhagen V Denmark Tlf +45 3327 5332 Email josea.cuesta.se...@carlsberglab.dk