[phenixbb] Troublesome molecular replacement

Yuri yuri.pompeu at ufl.edu
Mon Oct 29 14:02:35 PDT 2012

Just a few simple thoughts:

--1) Are you certain about the space group, and did you try letting
--Phaser pick one for you?  (It sounds like you did, but I can't tell
--from your description.)

  I searched for a solution in all possible space groups in P 4. I 
thought I was certain of the space group, but maybe not...

--2) How much refinement did you run to get an R-free of 42$, and did
--you already try running AutoBuild with rebuild-in-place turned off?
--Refinement alone may not have the radius of convergence you need.

   True, I only did a couple of rounds of rebuild/refine

--3) What is the sequence identity?

  My model is a point-mutant of the crystal.

--4) Are you using the latest version of Phenix?  Phaser has had TNCS
--support for almost a year now but I keep hearing from people who are
--using ancient versions...

  I am using the latest official PHENIX built.


Yuri Pompeu

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