[ccp4bb] map rotation

Hi all, this should be easy, scripting the rotation of a map. Purpose for this is: Superimpose several structures of the same protein that crystallized in different space groups, and then drag the maps along. As a simple test, I took a dimeric protein and try to superimpose molecule B along with

[ccp4bb] EMBO Course "Practical Integrative Structural Biology", Nov 3-9 2019, Hamburg

Posting on behalf of the organiser (Jan Kosinski): Dear all, we are happy to announce the upcoming EMBO practical course on “Practical Integrative Structural Biology” to be held from Nov 3-9, 2019 at EMBL and the Centre for Structural Systems Biology (CSSB), both on DESY campus in Hamburg,

[ccp4bb] Webinar: single particle cryo-electron microscopy in drug discovery

THE EMERGING ROLE OF CRYO-ELECTRON MICROSCOPY IN DRUG DISCOVERY This webcast looks at the emerging role of cryo-EM in drug discovery and its application to resolve the structure of challenging targets, such as GPCRs. Experts will share their success in cryo-EM enabled structure-based drug design

[ccp4bb] ABP1 has no known function

Dear all, Many people know much more about the plant hormone auxin than I do, but I believe I am right in saying that, despite Romana Gáborová's current PDBe highlight on auxin binding protein 1 (ABP1) at https://www.ebi.ac.uk/pdbe/about/news/growth, there is currently no valid evidence that

Re: [ccp4bb] Deposition requirement of anomalous pairs?

I’d be with you, Graeme, as a good compromise between merged data and raw diffraction images. Though it does seem to be getting more practical to make image data available… Randy - Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research

Re: [ccp4bb] Deposition requirement of anomalous pairs?

Hi Eleanor, That would be a great idea. We would use these data a lot for validation. Cheers, Robbie > -Original Message- > From: CCP4 bulletin board On Behalf Of Eleanor > Dodson > Sent: Wednesday, March 20, 2019 13:21 > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] Deposition

Re: [ccp4bb] Deposition requirement of anomalous pairs?

Hi Eleanor I’d raise you scaled but unmerged intensities :-) Best wishes Graeme On 20 Mar 2019, at 12:21, Eleanor Dodson <176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> wrote: Wouldn't it be a good idea if the pdb required that data

[ccp4bb] Deposition requirement of anomalous pairs?

Wouldn't it be a good idea if the pdb required that data deposition provide h k l I+ SIGI+ I- SIGI- ?? Even if the depositor has not exploited the anomalous signal, it may well be there sufficiently strongly to validate CYS or phosphates. I believe aata processing programs provide this

[ccp4bb] Fully funded MSD (Masters by Research) studentships at the University of Essex

Dear CCP4bbers, I would be grateful if you could pass details of the below studentships to any interested final year undergraduates. Many thanks, Mike Fully Funded Christine Desty MSD positions These scholarships are for a one year research-based Master’s degree (MSD) that have all fees

Re: [ccp4bb] Java based structural database websites

I can second the recommendation of the Mol* project. Some of the data which is used for Olderado and Vivaldi is now part of the wwPDB validation report. This data is available from the PDBe API http://www.ebi.ac.uk/pdbe/api/doc/validation.html Additional data NMR validation data is

[ccp4bb] The PDB Archive Reaches a Significant Milestone - 150,000 entries

With this week's update, the PDB archive has passed the milestone of 150,000 entries, and now contains a total of 150,145. With this week's regular update, the PDB welcomes 262 new structures into the archive. These structures join others vital to research and education in fundamental biology,

Re: [ccp4bb] Configuration of inositol hexaphosphate

Hi Karthik, There are currently three epimers of inositol hexaphosphate in the PDB: I6P (one axial), IHP (the same, which shouldn't be allowed), KGN (two axial, next to each other). I could not find other configurations. Which restraint file for COOT/CCP4 are you referring to? It might need

Re: [ccp4bb] Configuration of inositol hexaphosphate

The stable conformation should be 5 equatorial and one axial (2-position I think) > On 20 Mar 2019, at 10:34, Karthik Selvam wrote: > > Dear CCP4 community, > > We are working on a complex involving inositol hexaphoshpate. The structure > of the ligand given in the coot monomer library has

[ccp4bb] Configuration of inositol hexaphosphate

Dear CCP4 community, We are working on a complex involving inositol hexaphoshpate. The structure of the ligand given in the coot monomer library has alternate phosphate groups attached to the ring carbon atoms at the equatorial configuration and axial configuration. We also examined the structure