[phenixbb] AutoSol/Heavy atom sites/outside the model

Egor Tchesnokov etchesnokov at chemistry.otago.ac.nz
Mon Dec 2 11:56:18 PST 2013


Level: beginner

1.       Data collected at wavelength of 0.9537

2.       Ran Xtriage: anomalous data seem to extend to 2.2 A

3.       Ran Phaser-MR to get partial model (1 copy in AU)

4.       Ran AutoSol using partial model and anomalous data

AutoSol finds heavy atom sites (FOM=0.69; Overall score=75.6+/-3.3).
Coot displays model/density without heavy atoms
Heavy atoms are displayed outside the model (using zoom out).

Question: what did I do wrong?

Thank you for your time and help.

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