Re: [ccp4bb] tNCS incompatible with cell dimensions

2019-06-03 Thread Kevin Jude
Thanks everybody for your replies. I am having another look at my data in P1 and will post an update and summary to the list. -- Kevin Jude, PhD Structural Biology Research Specialist, Garcia Lab Howard Hughes Medical Institute Stanford University School of Medicine Beckman B177, 279 Campus

[ccp4bb] AW: [EXTERNAL] [ccp4bb] tNCS incompatible with cell dimensions

2019-06-03 Thread Herman . Schreuder
incompatible with cell dimensions EXTERNAL : Real sender is owner-ccp...@jiscmail.ac.uk Hello community, I wonder if I could solicit advice about a problematic dataset. I plan to solve the structure by molecular replacement and expect that the protein is relatively compact, ie not elongated. SAXS data

Re: [ccp4bb] tNCS incompatible with cell dimensions

2019-06-02 Thread Eleanor Dodson
Hmm - that sym op means you have a near C centred cell with spacegroup C 2 2 2 ? Maybe some of your protein has been chewed up? That does happen? How good is the diffraction? Eleanor On Sat, 1 Jun 2019 at 17:44, Jonathan Cooper < 0c2488af9525-dmarc-requ...@jiscmail.ac.uk> wrote: > Does

Re: [ccp4bb] tNCS incompatible with cell dimensions

2019-06-01 Thread Jonathan Cooper
Does the SAXS model contain more than one subunit? If so, I would be tempted to go back to the model and try each one separately. This may not apply, but if there are monomers in the SAXS model that are related by space group symmetry in the crystal, I think the MR would never work. Good luck

Re: [ccp4bb] tNCS incompatible with cell dimensions

2019-06-01 Thread Jrh Gmail
Dear Kevin You could try reindexing into P1, then run Phaser and with its solution as input to Zanuda determine the space group. Best wishes, John Emeritus Professor of Chemistry John R Helliwell DSc_Physics > On 31 May 2019, at 21:09, Kevin Jude wrote: > > Hello community, I wonder if

Re: [ccp4bb] tNCS incompatible with cell dimensions

2019-06-01 Thread Kevin Jude
Thanks Diana - Indexing on strong reflections (STRONG_PIXEL=50 in xds) does identify C222 as a possibility with the same dimensions as the P222 cell. This doesn't solve my problem, though, since the centering operation just replaces the tNCS and doesn't relieve the crowding. Best wishes Kevin --

Re: [ccp4bb] tNCS incompatible with cell dimensions

2019-05-31 Thread Boaz Shaanan
Wouldn't c222 or c222(1) be included in the Phaser run if all orthorhombic sg's were requested? Boaz Boaz Shaanan, Ph.D. Department of Life Sciences Ben Gurion University of the Negev Beer Sheva Israel On May 31, 2019 23:37, Diana Tomchick wrote: Your native Patterson

Re: [ccp4bb] tNCS incompatible with cell dimensions

2019-05-31 Thread Diana Tomchick
Your native Patterson indicates pseudo C-centering. Are you sure you don’t have space group C222(1)? If your space group is correct, it’s still pseudo C-centered. You should see that in the intensity-weighted reciprocal lattice. You could try re-indexing on just the most intense spots to give

[ccp4bb] tNCS incompatible with cell dimensions

2019-05-31 Thread Kevin Jude
Hello community, I wonder if I could solicit advice about a problematic dataset. I plan to solve the structure by molecular replacement and expect that the protein is relatively compact, ie not elongated. SAXS data supports this expectation. The crystals diffract to 2.6 Å resolution and appear to