Hi Jessica

You may try the following (if you haven't already):

1. Try solving it using P222 space group.
2. Re-index using different axes.


*Regards*



*Adarsh Kumar*

*Florida State University College of Medicine*


*Tallahassee, FL - 32304*



On Mon, Dec 16, 2019 at 2:30 PM Jessica Besaw <jbesaw1...@gmail.com> wrote:

> There have been two potential space groups:
>
> P212121 - Rfree = 36%
> P21212 - Rfree = 45%
>
> Xtriage reports that twinning is unlikely.
>
> Cheers!
>
> Jessica
>
>
>
>
>
> On Mon, 16 Dec 2019 at 13:56, Jürgen Bosch <jxb...@case.edu> wrote:
>
>> What’s your spacegroup ? RWork / RFree?
>>
>> Twinning by any chance?
>>
>> Jürgen
>>
>> __________________________________________
>> Jürgen Bosch, Ph.D.
>> Division of Pediatric Pulmonology and Allergy/Immunology
>> Case Western Reserve University
>> 2109 Adelbert Rd, BRB 835
>> Cleveland, OH 44106
>> Phone: 216.368.7565
>> Fax: 216.368.4223
>> https://www.linkedin.com/in/jubosch/
>>
>> CEO & Co-Founder at InterRayBio, LLC
>>
>> Johns Hopkins University
>> Bloomberg School of Public Health
>> Department of Biochemistry & Molecular Biology
>>
>> On Dec 16, 2019, at 1:50 PM, Jessica Besaw <jbesaw1...@gmail.com> wrote:
>>
>> I am crystallizing this membrane protein in a medium (bicelles) that
>> forms lamella like sheets that stack on top of each other.
>>
>> The layer packing is shown below. Is this structure unreasonable?
>>
>> <Screen Shot 2019-12-16 at 1.40.02 PM.png>
>>
>> On Mon, 16 Dec 2019 at 13:38, Reza Khayat <rkha...@ccny.cuny.edu> wrote:
>>
>>> ​​Hi Jessica,
>>>
>>>
>>> The gap between the two proteins is a bit troubling. Perhaps it's the
>>> image, but why would a crystal form if there is no crystal contact between
>>> the two proteins?
>>>
>>>
>>> Reza
>>>
>>>
>>> Reza Khayat, PhD
>>> Assistant Professor
>>> City College of New York
>>> Department of Chemistry
>>> New York, NY 10031
>>> ------------------------------
>>> *From:* CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Ashish
>>> Kumar <mail2ashish...@gmail.com>
>>> *Sent:* Monday, December 16, 2019 1:24 PM
>>> *To:* CCP4BB@JISCMAIL.AC.UK
>>> *Subject:* [EXTERNAL] Re: [ccp4bb] 1 out of 2 proteins in asymmetric
>>> unit does not fit density
>>>
>>> Hi Jessica,
>>>
>>> It may be possible because of wrong MR solution as well. How were your
>>> stats after MR.
>>> Also it is correct that it could be possible because of wrong space
>>> group.
>>> Try changing the Space group and repeat MR.
>>>
>>> Best Regards
>>> Ashish
>>>
>>> On 16 Dec 2019 22:56, "Jessica Besaw" <jbesaw1...@gmail.com> wrote:
>>>
>>> Dear community,
>>>
>>> I am having a lot of trouble solving a protein structure. I think my
>>> problem may caused by incorrectly placed proteins in molecular replacement.
>>> I have two proteins in my asymmetric unit. It appears that one protein fits
>>> perfectly, and the other one has many errors. (See snapshots below). I have
>>> tried deleting the parts of the protein (and even the whole protein) to try
>>> and rebuild it in COOT, but it was a bit too difficult for me to solve.
>>>
>>> I would appreciate any and all suggestions for potential strategies
>>> moving forward.
>>>
>>> Other information:
>>> (1) 2.4 Angstrom
>>> (2) 99% complete
>>> (3) "Translational NCS may be present at a level that may complicate
>>> refinement"
>>>
>>> Cheers!
>>>
>>> Jessica
>>>
>>> <Screen Shot 2019-12-16 at 11.58.10 AM.png>
>>> <Screen Shot 2019-12-16 at 11.58.31 AM.png>
>>>
>>>
>>>
>>>
>>>
>>>
>>>
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