Hi Tong,

I replied to your email yesterday. Did you get it? Just in case below is a verbatim copy of my yesterday's reply to you:

****

Hi 霍彤,

hm, this shouldn't normally happen! Could you please send me relevant inputs so I can reproduce the problem and see what exactly is happening? Also explain how you run autobuild and then phenix.refine.

Pavel

On 7/20/12 5:43 AM, 霍彤 wrote:

Hi all:

I do not know if someone mentioned this problem here before. Recently I ran the AutoBuild to build the structure model, and it outputs a best model(R/Rfree 0.20/0.24). After that, I tried the program Phenix Refine using the .pdb and .mtz generated by AutoBuild. The R value increased to 0.23/0.30 by the end of this refine.

I wonder why this happened? Or if I have done something wrong?

****

Pavel

On 7/20/12 6:56 PM, herohonan wrote:

Hi all:
I do not know if someone mentioned this problem here before. Recently I ran the AutoBuild to build the structure model, and it outputs a best model(R/Rfree 0.20/0.24). After that, I tried the program Phenix Refine using the .pdb and .mtz generated by AutoBuild. The R value increased to 0.23/0.30 by the end of this refine.
I wonder why this happened? Or if I have done something wrong?

(After AutoBuild, I modified the structure and added the substrate moleculars into the structure by hand.

I thought the increase of the R value was resulted from the inapposite position of the substrates.

But the R value still increased when I ran the Phenix Refine just by inputting the output of the AutoBuild without any manual modification.)

--

Tong Huo

Ph.D candidate

College of Life Sciences

Nankai University

Tianjin, China
_______________________________________________
phenixbb mailing list
[email protected]
http://phenix-online.org/mailman/listinfo/phenixbb