Re: [ccp4bb] One protein, two data sets

2019-09-09 Thread Randy Read
Hi, If you reindexed crystal 1, the cell dimensions could be a=61.0, b=133.23, c=100.34, which would be correspond roughly to doubling the b-cell edge of crystal 2. Is there a sign of this in the data, i.e. in the current indexing of crystal form 1 is there a big peak around 0,0,1/2 in the nat

Re: [ccp4bb] One protein, two data sets

2019-09-08 Thread Kay Diederichs
Dear Prerana, the structures of the protein belonging to these two crystal forms are, strictly speaking, different. Exactly _how_ different they are can only be stated after solving them. You will then be able to compare _three_ structures of the protein - two in crystal form 1., one in crysta

Re: [ccp4bb] One protein, two data sets

2019-09-08 Thread Jonathan Cooper
I take it that the datasets are from different crystals. Are the crystallisation conditions the same? I can't spot any signs of a difference in indexing (but I may be wrong) so they look like different crystal forms. Are the processing statistics good for both? Is this a case for molecular repl

[ccp4bb] One protein, two data sets

2019-09-08 Thread Prerana G.
Dear all, We have two data sets of a protein with the following parameters: 1. Space group P212121 a=61.0, b=100.34, c=133.23 No. of molecules in ASU - 2 2. Space group P212121 a=58.33, b=62.86, c=109.45 No. of molecules in ASU - 1 Can we use them as two different structures? Regards, Prerana #