Dear All,

After we refine the structure of the protein to satisfactory with satisfactory Rwork and Rfree, we pick water by phenix refine, and I find Rfree always increases slightly after the water picking refinment.

Do you have nay idea to solve this problem or any comment?

Cheers,

Dialing

From: Nathaniel Echols <[email protected]>
To: PHENIX user mailing list <[email protected]>
Sent: Tuesday, 7 February 2012 2:03 PM
Subject: Re: [phenixbb] on Rwork and Rfree

On Mon, Feb 6, 2012 at 7:57 PM, Dialing Pretty <[email protected]> wrote:
> But how about if both the Rfree and Rwork decrease, by comparing the start
> and final, however in the middle of the the refinement (for example the
> second cycle of the default3 cycles) the Rfree and Rwork are higher in
> comparison with the Rfree_start and Rwork_statrt?

This is okay, and not at all uncommon (especially if you use simulated
annealing).

-Nat
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