[phenixbb] what about heavy atom as model for MR

Paul Adams pdadams at lbl.gov
Sat Jun 22 21:24:38 PDT 2013

Hi Yan,

  are you sure that the space group is P4322. Although seen, it is less much likely that space groups with an additional screw axis such as P43212. Have you tried solving the structure in these alternatives - I'm not sure that Autosol will try all permutations. Also, you can use phenix.explore_metric_symmetry to see if there is any relationship between you tetragonal and orthorhombic lattices. 


On Jun 23, 2013, at 8:52 AM, "赵岩" <zhaoy at moon.ibp.ac.cn> wrote:

> Hi everyone,
> The heavy atoms(Se-Met) were located at P4322 space group(4A). But the initial density map is so bad that I can not build the initial model.
> Meanwhile, I have another two datasets, native(2.6A) and  se-met anomalous dataset with space group P2221. But these two datasets have no solution. I have tried the initial map from sp P4322 as a model to do molecular  replacement. But no MR solution. 
> So, I want to know how can I use the heavy atom as model to do MR with isomorphous or anomalous differences?
> Thanks!
> --
> Yan Zhao, M.Phil.
> National Laboratory of Protein Sciences 
> Institute of Biophysics 
> Chinese Academy of Sciences 
> 15 Datun Rd.
> Beijing, 100101 
> China
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Paul Adams
Deputy Division Director, Physical Biosciences Division, Lawrence Berkeley Lab
Division Deputy for Biosciences, Advanced Light Source, Lawrence Berkeley Lab
Adjunct Professor, Department of Bioengineering, U.C. Berkeley
Vice President for Technology, the Joint BioEnergy Institute
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