Re: [ccp4bb] Help sought for problem dataset

I guess my hunch would be that there is some sot of order-disorder problem; either twinning or crystal dislocation. Some ideas - reindex the PG222 data set h/2,k,l so that a~=b and test that data for twinning - you can just run truncate on the output Is and see the moments and cumulative

[ccp4bb] PHARE Workshop - April 2009

Dear Colleague, PHARE is a modular workshop on global phase retrieval to be held in Martina Franca (Bari, Italy) on April 2009. The workshop is focused on crystallographic methods for phase determination and refinement: participants will be trained on the bases of the methods and on the latest

Re: [ccp4bb] Self rotation function calculation

Hi Sympath, Did you try to change the default Search radius? To my understanding MOLREP estimats the search radius somehow from the volume of the asymmetric unit and not from the expected radius of the monomer (you don't give the program the number of expected molecules). The signal of the SRF

Re: [ccp4bb] Help sought for problem dataset

James, 1) It does not seem to have a 222 symmetry from the self-rotation under P2/P21. 2) Besides what Eleanor suggested, there might be another possibility that it is twinned in a way with P2/P21 cell of a'(=a), b'(~a, =b/2), c'(c), 90, 90, 90. The uniqueaxis is along a' or b', but not

[ccp4bb] MOSFLM error message reading RAxis IV++ image

I am getting the following error in imosflm when attempting to read an image file from an RAxis IV++ detector. I can read RAxis IV image files just fine from the same facility. Is this a header formatting issue? And is there a (relatively) simple way to fix it? In MOSFLM (old GUI) attempting

Re: [ccp4bb] purification of phosphorylated proteins-off topic

Hi there Satheesh, In: Activation Mechanism of the MAP Kinase ERK2 by Dual Phosphorylation . Cell , Volume 90 , Issue 5 , Pages 859 - 869 B . Canagarajah , A . Khokhlatchev , M . Cobb , E . Goldsmith (PDB # 2ERK) the structure of phosphorylated ERK II was solved by co-expressing a suitable,

[ccp4bb] Reducing Agents and pH

Sorry for this very prosaic question: does anybody have a reference describing the mechanisms of reducing agents (TCEP, DTT, BME, etc.), and in particular the effects of the reactions on pH? I think I can draw a convincing reaction mechanism for myself, but I am not sure theoretically why (or

[ccp4bb] twin axis in p21

Dear Colleagues, I'd like to share with you with a twinning puzzle that's been troubling me for a while. I have a ~2.2 A data merged in p212121 space group with unit cell: 41.8300 117.4490 134.4840 90. 90. 90. Translational NCS was detected but structure solution was able to

Re: [ccp4bb] Self rotation function calculation

Dear All, Thank you very much for the reply and suggesions regarding my self rotation function calculation. Really I appreciate who are all responded me regarding my query. Now I got some idea about my structure in the assymetric unit. Thanking you once again. Sincerely yours, Sampath On Thu,

[ccp4bb] RAxis fiber diffraction

Hello Everyone Since I'm convinced that ccp4bb is the repository of all knowledge about all diffraction phenomena... A colleague would like to do some fiber diffraction studies. I have an RAxis - I know we can put the fiber in the beam and shoot it and get some pattern on the detector.