Re: [ccp4bb] twin, pseudosymmetry and NCS in P2/C2 ?

You have tried all spacegroups within point groups? P2 p21 c222 c2221?. On Wed, 22 Mar 2023 at 03:01, Lijun Liu wrote: > If data processing to be ok and all possible monoclinic and orthorombic SG > gave unreasonable high Rs, maybe good to give a try with p1 space group? > Since > the p-lattice

Re: [ccp4bb] twin, pseudosymmetry and NCS in P2/C2 ?

If data processing to be ok and all possible monoclinic and orthorombic SG gave unreasonable high Rs, maybe good to give a try with p1 space group?  Since the p-lattice indexing gave same a and  b also very close alpha and beta, it could not exclude the possibility of p1 then twinned (also together

[ccp4bb] Core Director III Position at Emory University Integrated Electron Microscopy Core (IEMC)

Dear Colleagues, The Robert P. Apkarian Integrated Electron Microscopy Core at Emory seeks to appoint an enthusiastic, motivated, and experienced cryo-electron microscopist at the Core Director III level. The individual will develop and support service offerings in traditional electron microsco

[ccp4bb] Investigator position at the Hauptman-Woodward medical research Institute in Buffalo, New York

Dear CCP4, An Investigator Position is available. The Hauptman-Woodward Medical Research Institute (HWI) seeks a scientific investigator to join the scientific efforts at the Institute. Applications in the broad areas of structural, computational, or molecular biology are solicited. The Insti

[ccp4bb] CBMS Lecture Series - March 22 @13:30 (EST) - Diana Monteiro (HWI)

You and your team are invited to join Diana Monteiro Hauptman-Woodward Medical Research NSF BioXFEL Science and Technology Center March 22, 13:30 EST Beyond cryo-crystallography: new technologies for serial and time-resolved experime

Re: [ccp4bb] twin, pseudosymmetry and NCS in P2/C2 ?

cell 66.3 66.3 83.9 90.2 90.1 98.7. P2 or P21 cell Cell volume:364551.812 Data line--- cell 86.4 100.6 83.9 90.0 90.2 90.0. Cell volume double - C2 or C222 or C2221 cell Cell volume:729240.938. ie How many residues in your model? It is hard to decide much without

[ccp4bb] HTX Center at HWI User Meeting Announcement

Hi CCP4BB! I am excited to announce that the National High-Throughput Crystallization (HTX) Center at HWI will be hosting a Virtual User's Meeting! The meeting is scheduled on Friday 3/31/2023 from 10am-3pm (Eastern). Register here

Re: [ccp4bb] twin, pseudosymmetry and NCS in P2/C2 ?

Hi Gianluca, Have you checked for diffraction anisotropy problems? It might be worth running it through the STARANISO webserver: https://staraniso.globalphasing.org/cgi-bin/staraniso.cgi. Anisotropy can make your data look twinned and elliptical truncation can help improve maps. Good luck! Best,

Re: [ccp4bb] twin, pseudosymmetry and NCS in P2/C2 ?

Hello, can you give us a screenshot of a diffraction image, with the caveat that they never look all that good with fine-slicing, still it might help ;-0 Also, an idea of the R-merge, R-meas, CC-half in some of those space groups. Best wishes, Jon Cooper. jon.b.coo...@protonmail.com Sent from P

[ccp4bb] Postdoctoral Positions available at Yale School of Medicine

Dear Colleagues The Alon lab at Yale Medical School has openings for outstanding recently graduated scientists who are excited about our research. We seek individuals with a passion for research and a strong background in biochemistry, structural (cryo-EM, x-ray), molecular or cell biology We

[ccp4bb] twin, pseudosymmetry and NCS in P2/C2 ?

Dear All, I have collected a dataset from a small protein diffracting at 2.7A resolution, here is the space-group determination from XDS:  *  44    aP  0.0  66.3   66.3   83.9  90.2 90.1  98.7  *  31    aP  1.2  66.3   66.3   83.9  89.8  90.1 81.3  *  14   

[ccp4bb] Updated pipeline for small molecule data processing at PDBe

** *We have updated the tools used at PDBe and PDBe-KB for processing small molecule ligands and their interactions in the PDB archive. This process now identifies larger, linked ligands that are composed of individual components covalently linked together, allowing these molecules to be iden