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Hi Humberto,<br>
<br>
I suggest that you try to use TLS in combination with group isotropic B
(one B per residue). In my experience this almost always improves the
model. It is important that you make a thoughtful decision about the
TLS groups rather than refine the whole molecule as one TLS group
(which is default).<br>
<br>
Pavel.<br>
<br>
<br>
On 4/29/2008 10:30 AM, Humberto Pereira wrote:
<blockquote
cite="mid:12d76420804291030i4d34b034o5a8d5019cfc39920@mail.gmail.com"
type="cite">Dear all<br>
I was trying to refining a low resolution structure with Phenix.<br>
The crystal belongs to the SG P6122 with one monomer per ASU. The
monomer contains <br>
approximately 270 residues. There isn't any NCS operators. <br>
The crystal diffracts up to 4.0 Angstrons, with good statistics,
however I have only 4204 unique reflections.<br>
I solved the structure by MR by Phaser and the solution was quite
reasonably. <br>
Initially I performed a phenix refining cicle with SA + rigid body,
however the Rs values is very divergent (43 and 59%),<br>
so I decided to use the key
xray_data.r_free_flags.ignore_r_free_flags=true in order to save my
precious reflections with and without <br>
SA, and I also use the group_adp., in those cases the R is about
39-40%. <br>
I want a help to decide the best refinement strategies for low
resolution refinement with phenix.<br>
BTW I'm trying to produce some different constructions of the gene,
expecting improve the resolution. <br>
<br>
Thanks<br>
Humberto<br>
<br>
<br>
<br>
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