[ccp4bb] Fragment-based drug discovery session at ACA 2022

2022-04-08 Thread Tanner, John J.
As many of you know, the 2022 ACA meeting will be held in Portland, OR on July 29 to August 2. I would like to draw your attention to the session on fragment-based drug discovery and invite you to submit an abstract for an oral presentation. We welcome contributions from students as well as PIs.

Re: [ccp4bb] REFMAC5 refinement: nucleic acid residues with bad geometry

2022-04-08 Thread Eleanor Dodson
Well - I would look at the deviants in COOT and see if there is a proper reason for the angels - water molecules too close? alternate conformation for some near by sidechain? Any refinement program wants to get good geometry unless there is an obstacle. If there is nothing obvious to fix you could

Re: [ccp4bb] REFMAC5 refinement: nucleic acid residues with bad geometry

2022-04-08 Thread Guillaume Gaullier
Hello Pradeep, Have you visually checked the model at these locations? Is this non-ideal geometry of the DNA supported by the map? At 2.3 A resolution, the DNA should be well resolved (both backbone and nucleic bases planes). Some (most?) DNA-binding proteins distort DNA when binding to it, so

[ccp4bb] IUCr seeks an Executive Secretary

2022-04-08 Thread Louise Jones
IUCr seeks an Executive Secretary (Chief Executive Officer) The International Union of Crystallography (IUCr), which is both a global scientific union and a publisher of crystallographic journals and books, seeks an Executive Secretary (Chief Executive Officer) to manage the organisation and t

Re: [ccp4bb] MAX IV Summer School : Data collection and structure determination in macromolecular crystallography

2022-04-08 Thread Ana Gonzalez
Dear all, A reminder about the MAX IV Summer School on Data collection and structure determination in macromolecular crystallography (see information below). Note that the application deadline is quickly approaching! Best regards, Ana Gonzalez Dear all, I

[ccp4bb] REFMAC5 refinement: nucleic acid residues with bad geometry

2022-04-08 Thread Pallan, Pradeep S
REFMAC5 refinement: nucleic acid residues with bad geometry Hi All, I am in the final refinement stage of an X-ray structure of a protein-DNA complex, 2.3 A resolution, using Refmac5 (REFMAC 5.8.0267, CCP4Interface 7.1.018, Linux platform). I am confident about the space group, refinement steps,

[ccp4bb] Research engineer position in protein biochemistry

2022-04-08 Thread Agata Nawrotek
Dear all, We have an exciting opportunity for a research assistant to join Dr. Jacqueline Cherfils team at ENS Paris-Saclay (Gif-sur-Yvette/France) ! The closing date is 22th of April 2022. Kind regards, Agata Research engineer position in protein biochemistry: 12-month renewable fixed-term