[ccp4bb] REMINDER -- EMBO practical course (8th-12th July, 2024) on time-resolved serial macromolecular crystallography (TR-SX) at French-Alpes

2024-04-02 Thread Shibom Basu
Dear Everyone! This is a quick reminder that deadline for registration for our EMBO practical course on TR-SX is approaching in 2 weeks! Our EMBO practical course on TR-SX will be held at beautiful French-Alpine valley of Grenoble, France, from *8*_*th – 12th July, 2024*_. The course aims

Re: [ccp4bb] Resolution discrepancy between MTZ file and Refinement

2024-04-02 Thread Kay Diederichs
Hi Venkatareddy Dadireddy, do the unit cell parameters of your MTZ file and PDB file agree exactly ? Take for example a cell of (100,110,120,90,90,90) in the header of the MTZ file, and (97,110,120,90,90,90) in the CRYST1 line of the PDB file. In this example, the (50,0,0) reflection would be

Re: [ccp4bb] Room temperature change from 25ºC to 20ºC

2024-04-02 Thread Katherine Sippel
In the Southern realms of the US at least, academic centers maintain room temperature at WSRT year round because “77°, ew gross.” In fact, the only time those air conditioners turn off is when we are struck by errant polar vertices and our power grids fail. Postdocs described the experience as

Re: [ccp4bb] Crystallographic data table

2024-04-02 Thread Sharan Karade
Hi Marco, If you want all this information, during data processing you have to scale the data in two formats. One is merged, which you will use for the structure determination and another file is unmerged, which you can use to create the Table in Phenix, which typically gives all the information

[ccp4bb] Resolution discrepancy between MTZ file and Refinement

2024-04-02 Thread venkatareddy dadireddy
Hi, The resolution range in my MTZ file is 70.88 - 2.0 A. When I refined my structure using REFMAC5, the resolution that it gives is 70.88 - 1.94 A, the difference of 0.04 A. I also used Phenix.refine which gives the resolution output as it is in the MTZ file. Again, EDS (validation report) gives

[ccp4bb] Postdoc Position in Structural and Functional Studies of Transmembrane Transporters @ Paz lab, HWI

2024-04-02 Thread Aviv Paz
The Paz lab at the Hauptman-Woodward Medical Research Institute (HWI) is seeking a highly motivated and talented postdoctoral researcher to study the function and structure of transport proteins. The position is fully funded, available immediately, and is based in Buffalo, NY. The successful

Re: [ccp4bb] request for applications

2024-04-02 Thread John R Helliwell
Oh, gosh. Pete, I am sorry but I had already submitted a proposal. As you say nanogravity is surely next up and then picogravity. While I am waiting for Elon to get back to me I have been looking into an ultimate brightness ‘top pocket synchrotron’. This single electron device has the smallest

Re: [ccp4bb] request for applications

2024-04-02 Thread Hekstra, Doeke Romke
To clarify, the simulations would be money-intensive. The interpretation would (at first!) be people-intensive. -Original Message- From: CCP4 bulletin board On Behalf Of Hekstra, Doeke Romke Sent: Tuesday, April 2, 2024 9:00 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] request

Re: [ccp4bb] request for applications

2024-04-02 Thread Hekstra, Doeke Romke
Hi James, With a budget of $1e12, I would like to ask for a database of fully ab initio QM simulations of proteins and systems of interest. I'd love to see equilibrium and non-equilibrium simulation, e.g. for photosystems I/II actually absorbing photons and responding thereto. I'd like to see

[ccp4bb] 3-year PhD position in structural biology, Åbo Akademi University, Finland

2024-04-02 Thread Tiina Salminen
Dear all, A 3-year PhD position is available within the IMMUDOCS doctoral pilot project in my lab at the Structural Bioinformatics Laboratory, Åbo Akademi University, Turku, Finland: Expanding Toolbox for Targeted Oncotherapy: Intercepting Clever-1. Our research focuses on the structural,

[ccp4bb] CCPBioSim Industry Talk - Schrodinger 17 April 2024

2024-04-02 Thread Sarah Fegan - STFC UKRI
Hi all, Free registration is open for our upcoming online Industry Talk by Márton Vass from Schrödinger at 14:00 British Summer Time on 17 April 2024. Details and registration link can be found at https://www.ccpbiosim.ac.uk/schrodinger2024. Title: Structure-based target enablement with IFD-MD

[ccp4bb] Fwd: Sixth ESRF-INSTRUCT workshop on sample preparation for cryo-EM, May 28-30, 2024

2024-04-02 Thread David FLOT
- Dear all, Quick reminder that the last date to register for the ESRF-INSTRUCT hands-on workshop on sample preparation for cryo-EM is approaching (7th April). The registration link is below.

Re: [ccp4bb] request for applications

2024-04-02 Thread Pete Dunten
The obvious project worthy of such funding is crystallization in ultra low gravity.  Perfectly formed crystals are priceless and the basis for advances in structural biology.  Crystal growth on the ISS, in orbit 254 miles above the Earth, is considered growth in microgravity.  Now consider the