Re: [ccp4bb] High R/Rfree after MR

2017-10-14 Thread Eleanor Dodson
I would be worried by a structure with these R values, whether or not there is anisotropy to consider. Several times when this has happened to me the spacegroup turns out to be wrong. You do not give any details of the solution but especially if there is some non-crystallographic translation you

Re: [ccp4bb] AW: [ccp4bb] C-terminal amide

2017-10-14 Thread Abhishek Anan
Dear all, Thank you for the suggestions. I couldn't get the TYR-NH2 cif file to work. Refmac threw up some errors related to the cif file. Also, the TYC is defined as L-peptide but I am not sure why this is not working. In any case, what worked is the following, 1. I positioned the coot pointer i

[ccp4bb] Another troublesome dataset (High Rfree after MR)

2017-10-14 Thread Michael Jarva
To add to the current anisotropic discussion I recently got a dataset I’m unable to refine and I’m hoping I could get some help on figuring out if there’s anything I can do. I get a clear cut solution with Phaser using the same protein as search model and got a TFZ of >16, LLG >200, and a packi

[ccp4bb] Post doctoral position

2017-10-14 Thread Garib Murshudov
Dear All, We are looking for a highly motivated and skilled computational method developer to fill a Post-Doctoral Researcher (PDR) position in the Computational Crystallography group of MRC Laboratory of Molecular Biology (MRC-LMB) from January 2018. The position is a part of the multi-partner