chern at ualberta.ca
Mon May 4 18:48:24 PDT 2009
The resolution is 2.15 A. The NCS was always on during the refinement
until we got low R factors (19.2% and 21.2%). Then the NCS was turned
off for the final refinement and the R factors increased, which is
strange as they should be going down when you apply less restraints.
There are five restraint groups in the asym. unit.
Pavel Afonine wrote:
> Hi Maia,
> - I'm wondering why this puzzles you?
> - The gap Rfree-Rwork seems suspiciously small, although I can't tell
> without knowing the resolution.
> - Overall, better R-factors (Rwork, Rfree and Rfree-Rwork) mean that
> among many possible refinement strategies you have chosen the one that
> is better than the others.
> What is the resolution?
> What are the R-factor before using NCS?
> What will be the R-factors after you turn NCS back off?
> On 5/4/09 12:27 PM, Maia Cherney wrote:
>> Hi everybody,
>> I am wondering why my final structure refined with NCS=True has lower R
>> factors (19.2% and 21.2%) than without NCS by approximately 1.5%.
>> phenixbb mailing list
>> phenixbb at phenix-online.org
> phenixbb mailing list
> phenixbb at phenix-online.org
More information about the phenixbb