Dear Sayan,
For interest, the only other example I know of where
diffraction images show two different space groups is presented in a paper by
Zbyszek Dauter et al, Acta Cryst D61, 967-975, 2005, where crystals of the
proteolytic domain of Lon contained superimposed orthorhom
gt;> >herman.schreu...@sanofi.com <mailto:herman.schreu...@sanofi.com>> wrote:
>>> >
>>> >> Dear Sayan,
>>> >>
>>> >>
>>> >>
>>> >> If a subunit is correctly oriented, but the translation is incorre
;Rw/Rf values? Can we learn anything from the differences in overall
>> crystal
>>packing?
>>3. Process, run MR and refine in P1. Do you get lower R-factors? If
>>so, then run Zanuda to find out the real space group.
>>
>>
>>
>> Best,
gt;>
>> >>
>> >>
>> >> What I would do:
>> >>
>> >>1. Check the images: are there ice-rings or other artifacts that could
>> >>cause scaling problems that would lead to high Rw/Rf values? In that
>> >> cas
Dear Sayan,
I argree with Eleanor that P222 and C2 cannot been reindexed from each other
and I wonder how did you get these two results at the same time. You may want
to look into your data processing steps.
First, let's check how many points are indexed for each spacegroup. Are they
like 40%
ition.
>> >>
>> >>
>> >>
>> >> What I would do:
>> >>
>> >>1. Check the images: are there ice-rings or other artifacts that could
>> >> cause scaling problems that would lead to high Rw/Rf values? In that
>> &
he indexing.
> Regards
> Andy
>
>
> De: "Sayan Saha"
> À: CCP4BB@JISCMAIL.AC.UK
> Envoyé: Jeudi 28 Juillet 2022 18:11:54
> Objet: Re: [ccp4bb] Regarding the correct space group identification
>
> Dear Sir,
>
> The detector-to-crystal distance
>>
>>> >> What I would do:
>>> >>
>>> >>1. Check the images: are there ice-rings or other artifacts that
>>> could
>>> >>cause scaling problems that would lead to high Rw/Rf values? In
>>> that case,
>>> >
. Compare the C2 and P22121 solutions: do they have the same overall
> >>crystal packing (CS+NCS), or are they different? Do they have the same
> >>Rw/Rf values? Can we learn anything from the differences in overall
> >> crystal
> >>packing?
> >>3. Process,
>>Rw/Rf values? Can we learn anything from the differences in overall
> >> crystal
> >>packing?
> >>3. Process, run MR and refine in P1. Do you get lower R-factors? If
> >>so, then run Zanuda to find out the real space group.
> >>
>
divergence at a synchrotron,
combined with fine sliced images, may tell a different story about the
indexing.
Regards
Andy
De: "Sayan Saha"
À: CCP4BB@JISCMAIL.AC.UK
Envoyé: Jeudi 28 Juillet 2022 18:11:54
Objet: Re: [ccp4bb] Regarding the correct space group identification
e there ice-rings or other artifacts that could
>>> >> cause scaling problems that would lead to high Rw/Rf values? In that
>>> >> case,
>>> >>there is not much you can do.
>>> >>2. Compare the C2 and P22121 solutions: do they have the
@JISCMAIL.AC.UK
Betreff: Re: [ccp4bb] Regarding the correct space group identification
Dear Sir,
The detector-to-crystal distance was 190 mm. The Oscillation range was 1.0
degree. Please find attached two diffraction images.
With best regards,
Sayan Saha.
On Thu, Jul 28, 2022 at 7:31 PM Kay
t; >>there is not much you can do.
>> >>2. Compare the C2 and P22121 solutions: do they have the same
>> overall
>> >>crystal packing (CS+NCS), or are they different? Do they have the
>> same
>> >>Rw/Rf values? Can we learn anyt
an we learn anything from the differences in overall
> >> crystal
> >>packing?
> >>3. Process, run MR and refine in P1. Do you get lower R-factors? If
> >>so, then run Zanuda to find out the real space group.
> >>
> >>
> >>
> >>
patterns?
>>
>>
>>
>> Did you run Zanuda on your P1 structure? What Rfactors do you get when
>> you complete the refinement in P1?
>>
>>
>>
>> Best regards,
>>
>> Herman
>>
>>
>>
>> *Von:* Sayan Saha
>>
gt;so, then run Zanuda to find out the real space group.
>>
>>
>>
>> Best,
>>
>> Herman
>>
>>
>>
>> *Von:* CCP4 bulletin board *Im Auftrag von *Sayan
>> Saha
>> *Gesendet:* Donnerstag, 28. Juli 2022 08:15
>> *An:* C
your P1 structure? What Rfactors do you get when you
> complete the refinement in P1?
>
>
>
> Best regards,
>
> Herman
>
>
>
> *Von:* Sayan Saha
> *Gesendet:* Donnerstag, 28. Juli 2022 11:43
> *An:* Schreuder, Herman /DE
> *Cc:* CCP4BB@JISCMAIL.AC.UK
> *
factors do you get when you
>> complete the refinement in P1?
>>
>>
>>
>> Best regards,
>>
>> Herman
>>
>>
>>
>> Von: Sayan Saha
>> Gesendet: Donnerstag, 28. Juli 2022 11:43
>> An: Schreuder, Herman /DE
>>
ment in P1?
>
>
>
> Best regards,
>
> Herman
>
>
>
> Von: Sayan Saha
> Gesendet: Donnerstag, 28. Juli 2022 11:43
> An: Schreuder, Herman /DE
> Cc: CCP4BB@JISCMAIL.AC.UK
> Betreff: Re: [ccp4bb] Regarding the correct space group identification
>
: Donnerstag, 28. Juli 2022 15:17
An: Schreuder, Herman /DE
Cc: CCP4BB@JISCMAIL.AC.UK
Betreff: Re: [ccp4bb] Regarding the correct space group identification
Dear Sir,
The crystal-to-detector distance was set to 190 mm. Yes, multiple diffractions
seem to be present. We have not yet tried Zanuda on
Rw/Rf values? Can we learn anything from the differences in overall crystal
>packing?
>3. Process, run MR and refine in P1. Do you get lower R-factors? If
>so, then run Zanuda to find out the real space group.
>
>
>
> Best,
>
> Herman
>
>
>
> *Von:* CCP4
you
complete the refinement in P1?
Best regards,
Herman
Von: Sayan Saha
Gesendet: Donnerstag, 28. Juli 2022 11:43
An: Schreuder, Herman /DE
Cc: CCP4BB@JISCMAIL.AC.UK
Betreff: Re: [ccp4bb] Regarding the correct space group identification
Dear Sir,
1. There are no ice-rings. However
Von: CCP4 bulletin board Im Auftrag von Sayan Saha
Gesendet: Donnerstag, 28. Juli 2022 08:15
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [ccp4bb] Regarding the correct space group identification
Dear All,
We have collected home-source X-ray intensity data for a protein at 2.6
Angstrom. The data can be
Dear All,
We have collected home-source X-ray intensity data for a protein at 2.6
Angstrom. The data can be processed in either C2 (a=120, b=80, c=85 and
beta=115) or P222 (P22121, a=80, b=85, c=110). MR solution can be obtained
in both the space groups. However, the solution can be refined with a
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