Re: [ccp4bb] MR solution for a helical protein

2017-01-02 Thread Debanu
Hi, In addition to all the great suggestions, you can also look into using Rosetta_MR/Phenix and CNS DEN refinement. Can be useful if all fine with your data and space group analysis and primary issue is remote model homology/significant model dissimilarity. Rosetta MR: http://www.nature.com/na

Re: [ccp4bb] MR solution for a helical protein

2017-01-02 Thread Eleanor Dodson
I would try harder to get an MR solution from your best homologue. Things I would do.. 1] Check data quality - CCP4I2 gives you a good report - Are there ice rings? strange wilson plot? missing low resolution data? etc etc.. 2] is there Non xrystallographic translation? ccould you have the spece

Re: [ccp4bb] MR solution for a helical protein

2017-01-02 Thread Claudia Millán Nebot
Dear Madhu, At the resolution that you mention, which is at the edge of the resolution limit for ARCIMBOLDO_LITE, and considering that you have already some information about the possible fold, I would suggest you to use our tool ARCIMBOLDO_SHREDDER, as it will derive fragments starting from your

[ccp4bb] MR solution for a helical protein

2017-01-02 Thread Madhu Sudhan
Dear all, We are trying to solve a protein structure of 37KDa using molecular replacement method. Protein secondary structure indicates that it has 4-Heat repeat (α-helical hair pin) i.e. 16 α-helices. It has about 40% sequence identity with templates in PDB, using which we tried MR, but we are