Re: [ccp4bb] Heavy atom sites?

2010-08-20 Thread Pu Gao
Dear all, My case seems to have two factors: 1. origin choice. and 2. handedness/enantiomorph. And this kind of "problem" seems to be very common during the experimental phasing process. And I learned a lot informations both theoretical and practical from your replies. Many thanks for all

Re: [ccp4bb] Heavy atom sites?

2010-08-20 Thread Pu Gao
Dear Pro. George, Many thanks for your detailed and clear exposition, which gives me a more clear idea about this question (Although I still don't really understand the basc mathematic things behind it). I rechecked the sharp logs, and found that the original SAD sites were wrong, which

[ccp4bb] Heavy atom sites?

2010-08-19 Thread Pu Gao
Hi all, I recently solved a structure using SAD or SIRAS successfully (refinement using native data). But I came across some questions about the heave atom (Hg) sites. SG : P212121. Cell: 61.000 137.700 142.170 90.00 90.00 90.00 (native and derivative are very similar). 1. I used shelxD f