Re: [ccp4bb] Solving the structure

[Roger Rowlett]

You should also search in I212121, an alternative space group. If you have a reasonable solution, packing should be sensible. Matthews coefficient analysis is only a guide, as there is a distribution of solvent content values in typical protein crystals. We routinely crystallize one protein in various space groups from 35-65% solvent content. By examining the packing of a partial solution, you can often surmise how many additional copies you need to fill out the ASU. It is often the case that you have fewer copies in the ASU than you think, based on the Matthews coefficient. Cheers. On 6/24/2011 3:50 AM, mullapudi edukondalu wrote: Dear Members, I have my first data set on one of my protein crystals, that  diffract to  2.7 A, and the space group is I222. According to Mathews coefficient, there should be 4 molecules in the asymmetric unit. But, when I run molecular replacement programme  it found only 3, and the crystal packing is not that good. I have 100% similar model. And Ref mac gave me an  Rfree of 46%. Could any one of you please suggest me how to go further with this problem? Looking forward to hear from you. Best Regards Edukondalu Mullapudi -- Edukondalu Mullapudi PhD Student Molecular Host-Pathogen Interactions (MHPI) Division of Structural Biology (SB) Helmholtz-Centre for Infection Research (HZI) Inhoffenstr. 7 38124 Braunschweig Germany Phone:+4953161817041 Mobile:+4917622997722 -- Roger S. Rowlett Gordon & Dorothy Kline Professor Department of Chemistry Colgate University 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: rrowl...@colgate.edu