Dear Preeti,
you could try PDB_REDO (https://xtal.nki.nl/PDB_REDO/) - it provides a lot of
wisdom in an automated manner.
By what criteria do you set the resolution to 2.1A? Sometimes people include
too much data which really are just noise.
Best,
Tim
On Monday, April 04, 2016 04:19:48 PM Preeti Satya wrote:
> Hello,
>
> I am facing some problem when I am refining my structure. My data is of
> resolution 2.1. The R and Free R for the structure is 23 / 28 and the rms
> bond angle is 1.496 and rms bond length is 0.0103. During the initial
> phase of refinement, the R/ Free R decreased upto 23/ 28. But now as I am
> refining my structure, the R/ free R is geting
> increased instead of decrease along with increment in bond angle. What
> should I do to decrease the R / free R or can I deposit my data as it is.
> The native structure for the protein is well refined and already deposited.
> This structure is a complex structure of the same protein with some ligand.
>
> Regards,
> Preeti
>
> PI - Dr. S .Gourinath
> School Of life sciences
> JNU
> N.Delhi 110067
>
> http://www.jnu.ac.in/Faculty/gourinath/Lab_Members.htm
> ....
> knowledge is power. So go on achieving knowledge through out your life time.
--
--
Paul Scherrer Institut
Dr. Tim Gruene
- persoenlich -
OFLC/102
CH-5232 Villigen PSI
phone: +41 (0)56 310 5297
GPG Key ID = A46BEE1A
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