Re: [ccp4bb] Help for Twin Refinement in Refmac5 / CCP4i2

2021-01-25 Thread Parthasarathy Sampathkumar
Dear All, Please you may ignore my previous email. TWIN refinement in Refmac5 / CCP4i2 worked well once used "HKLOUT_0-observed_data_asIMEAN.mtz" from the data-reduction job. I am slowly getting used to the finer-aspects of CCP4i2. Previously, I used to have both Intensities and Amplitudes in a

[ccp4bb] Help for Twin Refinement in Refmac5 / CCP4i2

2021-01-25 Thread Parthasarathy Sampathkumar
Dear All, I have not had much experience in refining structure using data from twinned crystals and has started using CCP4i2 very recently only. Here is a background: antigen-Fab crystal structure determined by MR first in P4(3)2(1)2 space group with 1-complex molecule in the asymmetric unit

Re: [ccp4bb] Characterising potential drug-binding pockets

2021-01-25 Thread Jon Cooper
Hello Sir, Just confirming PPI is Protein-Protein Interactions rather than Proton Pump Inhibitors? Anyway, I knew someone who used UCSF Chimera a lot for that sort of thing. Hope this helps. Jon.C. Sent from ProtonMail mobile Original Message On 25 Jan 2021, 19:02, Sergei

Re: [ccp4bb] Characterising potential drug-binding pockets

2021-01-25 Thread Bernhard Rupp
ICM PocketFinder might fit the bill (not free but academic license) eg in https://pubmed.ncbi.nlm.nih.gov/20977231/ Best, BR From: CCP4 bulletin board On Behalf Of Sergei Strelkov Sent: Monday, January 25, 2021 11:02 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Characterising potential

[ccp4bb] Characterising potential drug-binding pockets

2021-01-25 Thread Sergei Strelkov
Dear everyone, In a drug discovery project where our aim is to interfere with some PPIs, we could obtain binding of drug-like fragments in several potentially interesting pockets on our target. We would like to make a projection on how promising these individual pockets are. One way of doing

[ccp4bb] ccp4bb PhD position oppurtunity

2021-01-25 Thread Thatipally Mounika
Dear Dr Xinlai Cheng, My name is Mounika, have completed Masters in Biotechnology in the 2019 from Hyderabad India. I am writing this mail regarding any PhD positions offered in your lab. I feel that pursuing PhD in onco biology would help me reach my dream and also be among one who could try

[ccp4bb] Post-doc opportunity - Structural biology of AdhE spirosomes

2021-01-25 Thread Mads Gabrielsen
I would like to draw your attention to the position below. Please contact Andrew Roe or Olwyn Byron if interested. RE: 3-year BBSRC funded project, University of Glasgow, Scotland, UK. Post-doctoral project with Profs Olwyn Byron and Andrew Roe A new twist on drug design: AdhE spirosomes as

[ccp4bb] Call open for beamtime at DESY beamline P11, PETRA III, Hamburg

2021-01-25 Thread Hakanpää , Johanna
Dear all, We would like to inform you that the Call for Proposals (regular proposals) is now open for DESY beamline P11 at the PETRA III synchrotron in Hamburg. This call relates to remote and onsite access during the run period August-December 2021. The deadline for submission is

[ccp4bb] [Job post] RA position in RNA biochemistry/structural biology

2021-01-25 Thread Likai Liu
Hello, We are looking for a motivated RA to join our Structural Biology Team at Waltham, MA! The successful candidate would have rich experience working with different biomolecules and is interested in using NMR to aid drug design. Please apply by sending a cover letter and resumé to

Re: [ccp4bb] [Job post] RA position in RNA biochemistry

2021-01-25 Thread Likai Liu
Please see the post below https://05174277-077d-4bd1-b8cf-4aa0f6343f4c.filesusr.com/ugd/cb0357_3761b0f8d8e84ca8b926c32a1b06147b.pdf To unsubscribe from the CCP4BB list, click the following link:

[ccp4bb] [Job post] RA position in RNA biochemistry

2021-01-25 Thread Likai Liu
Hello, We are looking for a motivated RA to join our team at Waltham, MA! The successful candidate would have rich experience working with different biomolecules and is interested in using NMR to aid drug design. Please apply by sending a cover letter and resumé to

[ccp4bb] iNEXT-Discovery First Annual Scientific Meeting

2021-01-25 Thread a . perrakis
Dear all, We are happy to announce the "iNEXT-Discovery First Annual Scientific Meeting". This online Zoom-event will take place on February 16th, 2021 The program, with presentations from iNEXT-Discovery partners and external speakers, is open for everybody with interest in modern

[ccp4bb] 3-year postdoctoral position in biophysics at the Institute for Structural Biology, Grenoble, France.

2021-01-25 Thread Dominique Bourgeois
3-year postdoctoral position in biophysics at the Institute for Structural Biology, Grenoble, France. Investigating structural dynamics of green-to-red photoconvertible fluorescent proteins for the design of ultrastable variants. The recruited candidate will investigate the structural

Re: [ccp4bb] Question about tncs and SAD phasing

2021-01-25 Thread Clemens Vonrhein
On top of what Eleanor mentioned, looking for about 160 S atoms with anomalous signal to 3.9A will be VERY hard. If you manage actually find those sites (or a good subset of them), the next density modification step can also be very hard: jumping over that 3.5-4A hurdle to get interpretable