v_kuks...@cdri.res.in wrote:
Now, you have 20215 reflections used as a target to refine against (I assume this number does not include the Rfree reflections). You have 5113 atoms to refine, and you refine X Y Z B-iso (4 parameters per atoms). 5113 * 4 = 20452. Not counting the overall scale and temperature factor. Thus you do not have enough reflections (20215). But you have NCS. I don't think REFMAC can handle yet NCS (help me there Garib). CNS or Phoenix (sorry, I'm not American so I don't write Phenix) can handle NCS. Either as a constraint or as a restraint. At 3.0 Angstroem, I think you should try first the restraint, it should be sufficient. If you need help with Phoenix, you can contact Pavel Afonine, for CNS Axel Bruenger has a set of input template files (even in html format, to be filled using a web browser).number of atoms are 5113 and there are 2 chains
Normally if you do as I suggest this should all work. HTH, Fred.
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