---
** Hard work often pays of in time, but Procrastination always pays off
now **
*From: *"Dale Tronrud"
*To: *"Greg Costakes"
*Cc: *CCP4BB@JISCMAIL.AC.UK
*Sent: *Tuesd
It is a bit of a mystery to me why two structures of supposedly similar
resolution with equally acceptable maps can give very different r
factors - one sticks in the low 20s and another gives a smug 17% ..
I guess one could go back and analyse the model against the data and time..
Eleanor
On
Le 24/01/12 21:18, Dale Tronrud a écrit :
> On 01/24/12 11:52, Miguel Ortiz Lombardia wrote:
>> El 24/01/12 18:56, Greg Costakes escribió:
>>> Whoops, I misspoke... I meant Rsym and Rmerge increase with higher
>>> redundancies.
>>>
>>
>> But then suppose that one merges data from a crystal that is
-
>> ** Hard work often pays of in time, but Procrastination always pays off
>> now **
>>
>>
>> *From: *"Dale Tronrud"
>> *To: *"Gr
4BB@JISCMAIL.AC.UK
> *Sent: *Tuesday, January 24, 2012 12:43:43 PM
> *Subject: *Re: [ccp4bb] Problem with getting Rfree and Rf down
>
>
>Is this observation about redundancies a general rule that I missed?
> It seems rather surprising to me. What have results have othe
CP4BB@JISCMAIL.AC.UK
Sent: Tuesday, January 24, 2012 12:43:43 PM
Subject: Re: [ccp4bb] Problem with getting Rfree and Rf down
Is this observation about redundancies a general rule that I missed?
It seems rather surprising to me. What have results have others seen?
Dale Tronrud
On 01/24/12
CCP4BB@JISCMAIL.AC.UK
> *Sent: *Monday, January 23, 2012 4:48:50 PM
> *Subject: *[ccp4bb] Problem with getting Rfree and Rf down
>
> Hi every one
>
> I have some crystals in the space group P3121. I collect 180 frames of data.
>
> My crystals do not diffract better than at m
On 24 January 2012 15:23, Greg Costakes wrote:
> It would seem that you have a large model bias. Rule of thumb is to keep
> R/Rfree within 5% of each other. If you find that the numbers
> are separating during refinement you need to reduce the weighting factor
> (dont use automatic) during refinem
rom: "Sam Arnosti"
To: CCP4BB@JISCMAIL.AC.UK
Sent: Monday, January 23, 2012 4:48:50 PM
Subject: [ccp4bb] Problem with getting Rfree and Rf down
Hi every one
I have some crystals in the space group P3121. I collect 180 frames of data.
My crystals do not diffract better than at most
Trigonal space groups have a choice of two arbitrary "settings."
Were all those 180 frames collected in one pass? What were the
integration statistics?
What was the phasing method? Did you have a pre-existing structure*,
molecular replacement, anomalous, or what?
* This is the one I am conc
Hi Sam,
some obvious questions:
1-Space group right? ( i´d say so from your R values...)
2-Is your data good throughout all of the 180 frames? whats Rsym if take only
100?
3-how good/complete is model? Missing parts, residues, base pairs??
4-evaluate your refinement strategy...
HTH
These R-values are reasonable:
http://xray.bmc.uu.se/gerard/supmat/rfree2000/plotter.html
On Mon, 2012-01-23 at 21:48 +, Sam Arnosti wrote:
> Hi every one
>
> I have some crystals in the space group P3121. I collect 180 frames of data.
>
> My crystals do not diffract better than at most 2
Hi every one
I have some crystals in the space group P3121. I collect 180 frames of data.
My crystals do not diffract better than at most 2.0 angstrom, but the Rf barely
goes below 23%,
and Rfree also remains somewhere between 28-33%. I have tried to refine my data
as much as I can.
I do not
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