Use Zanuda to see whether the space group is actually a higher one—looks like a and c axes are pretty similar, and beta might be 120, suggesting a threefold. Otherwise it’s a pretty large beta. I wonder what the largest beta ever seen in the pdb is?
JPK From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Jademilson Santos Sent: Wednesday, April 26, 2017 3:35 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] large number in ASU Greetings all, I am having trouble with a data set and would like to know if somebody can help. I'm working with a protein of approximately 50 kDa, which I have successfully crystallized. The crystals diffracted at a resolution of 3,65 angstroms and upon initial processing using XDS i obtained the following information: space group: P21 ISA = 33.3 cell unit: a=285.2, b=135.9, c= 287.5, α=90, β=117.5, γ=90 Matthews coefficient indicates that there are 40 molecules in the asymmetric unit I am currently running the program Phaser (Phenix) to determine the phase via molecular replacement with a model that has 49% homology and query coverage of 94% and the program is taking extremly long to finish. In this case in which there is an extremly high number of molecules in the asymmetric unit, is this actually possible? Does someone know how to work with these values and is there a specific strategy which i must follow? Regards Jademilson Celestino dos Santos Laboratory of Applied Structural Biology Department of Microbiology Institute of Biomedical Sciences University of São Paulo- USP
