Re: [ccp4bb] an ambiguous result of molecular replacement

2012-05-01 Thread Zhiyi Wei
Hi Leonid, Thank you for your valuable suggestion. It is exactly the case. When I tried P21, it works well. The solution is now very clear. Best, Zhiyi On 3/31/12, Leonid Sazanov saza...@mrc-mbu.cam.ac.uk wrote: Hi, we had the same case in apparent C2221, with many similarly shifted Phaser

Re: [ccp4bb] an ambiguous result of molecular replacement

2012-04-03 Thread Eleanor Dodson
When this happens there is usually a serious problem with the data. Have you checked the truncate output for a non-cryst translation vector? It would look as though you have something which is generating a pseudo translation along x of ~ 0.2 Look at the hklview pictures of your data and see

Re: [ccp4bb] an ambiguous result of molecular replacement

2012-03-30 Thread Randy Read
Hi, Do you mean that the second molecule is always overlapped with the first, by saying that it shifts several Angstrom along the x axis? If there were a larger translation, then what you're seeing would be consistent with translational NCS (tNCS), but the translation should be large enough

Re: [ccp4bb] an ambiguous result of molecular replacement

2012-03-30 Thread Leonid Sazanov
Hi, we had the same case in apparent C2221, with many similarly shifted Phaser solutions with high scores. The reason was that crystals were actually nearly perfectly twinned in P21, so indexing and processing indicated C2221. Once data was re-processed in P21, Phaser could easily find two

[ccp4bb] an ambiguous result of molecular replacement

2012-03-29 Thread Zhiyi Wei
Dear all, I got a weird solution from Phaser. The background is that, space group C2221, resolution ~4A, in complex with a peptide, and having a apo form structure as the search model. Phaser gave two rotation function peaks with Z 7. But when searching translation function peaks, Phaser gave