Re: [ccp4bb] What are acceptable Rwork/Rfree for publication

As others point out, anisotropy is endemic in protein crystals, and severe cases make the single number score for Rmerge, CC1/2 etc pretty meaningless for the outer shell. But do not throw out the meaningful data at your higher resolution because of single number stats- first LOOK at your images

Re: [ccp4bb] similar unit cell

Try http://iterate.sourceforge.net/sauc-1.0.0/ which finds 4Y42 as closest for both cells, but lots of others nearby. On Sun, Jun 18, 2017 at 10:39 AM, James Holton wrote: > > By the way. Does anyone out there have a unit cell search engine still > running? The

Re: [ccp4bb] What are acceptable Rwork/Rfree for publication

Dear Khoa Pham, the question of a formal definition of en "effective" resolution and its variability with space direction is discussed in a) Urzhumtseva, L., Klaholz, B.P., Urzhumtsev, A. (2013) " On effective and optical resolution of diffraction data sets". Acta Cryst., D69 , 1921-1934.

Re: [ccp4bb] similar unit cell

By the way. Does anyone out there have a unit cell search engine still running? The two mentioned on this thread so far: ContaMiner: https://strube.cbrc.kaust.edu.sa/contaminer/ and SIMBAD: http://ccp4serv7.rc-harwell.ac.uk:8080/testserv/ seem to both be down. And the other one I know

Re: [ccp4bb] What are acceptable Rwork/Rfree for publication

Dear Gerard, Thank you so much for the very interesting discussions and the recommendation of using STARANISO. I will submit my data to STARANISO server and keep you updated. Sincerely, Khoa Pham

Re: [ccp4bb] What are acceptable Rwork/Rfree for publication

Dear Khoa, You are asking a very pertinent question, that will resonate in (too) many people's minds. Somehow anisotropy is very much "an inconvenient truth" in MX, as many things have long been set up and operated on the basis of having resolution be a single number and of all

Re: [ccp4bb] What are acceptable Rwork/Rfree for publication

Dear Gerard, Thank you very much for your suggestions. We actually analyzed anisotropy of the data using UCLA-DOE LAB Diffraction Anisotropy Server https://services.mbi.ucla.edu/anisoscale/. The question is that if the data cut in the anisotropically way, should it be deposited to the pdb.

Re: [ccp4bb] What are acceptable Rwork/Rfree for publication

Dear Khoa, Thank you for your reply and for the news that your data do show strong anisotropy. In such cases, the reflex is indeed to cut the data down to a resolution where the statistics look more reasonable. However, as these statistics are computed in spherical shells, i.e.