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

2024-04-09 Thread Pavel Afonine
Hi, every time you run phenix.refine it may exclude some reflections from refinement per Read 1999 (Acta Cryst. (1999). D55, 1759-1764). Usually the number of reflections omitted ranges from none to just a few, however, this may be just enough to make the resolution statistics look slightly

[ccp4bb] Phenix version 1.21.1 released

2024-04-09 Thread Paul Adams
The Phenix developers are pleased to announce that version 1.21.1 of Phenix is now available (build 1.21.1-5286). Binary installers for Linux, Mac OSX, and Windows (under Windows Subsystem for Linux), and the source installer, are available at the download site:

[ccp4bb] *Deadline for Travel Award*: Structural Biology Workshop, June 10-12, 2024, Arlington, VA

2024-04-09 Thread Meilleur, Flora
A reminder that the deadline to apply for travel award is this coming Friday, April 12! Neutrons in Structural Biology - Challenges & Opportunities June 10-12th 2024 Sheraton Pentagon City Hotel, Arlington, VA. For details and registration see: Neutrons in Structural Biology - Challenges

[ccp4bb] JOB OPPORTUNITY: Technician/Senior Technician in Biophysics in Milan

2024-04-09 Thread Sebastiano Pasqualato
Dear all, please advertise this job opportunity. The Biophysics Unit of the National Facility for Structural Biology of Human Technopole, in Milano, Italy, is seeking to recruit a research technician who will actively participate in maintaining instruments and workflows, take part in

Re: [ccp4bb] How to compare the same protein crystallized in different conditions?

2024-04-09 Thread Hekstra, Doeke Romke
Hi Murpholino, You could go the route of comparing refined models, as described by Dr. Yorke. As Dr. Dodson describes, isomorphous difference maps are another way to compare datasets. A benefit is that they do not require separate refinement of models for both states, which can render the

[ccp4bb] Install CCP4 on MacOS Monterey

2024-04-09 Thread Klaus Futterer
I am trying to install CCP4 on MacOS 12.7 (Monterey). Unfortunately, the disk image (ccp4 8.0) does not open, despite me following the advice of Ctrl-Click, open ... all I get is the informative window with the instructions how to launch the disk image for MacOS 10.15 and later. Any advice out

Re: [ccp4bb] How to compare the same protein crystallized in different conditions?

2024-04-09 Thread Eleanor Dodson
I like to use difference maps between Fa and Fb .. It is a bit tricky now to set them up..but they do highlight changes. Obviously 1) you need to have the same spacegroup and cell, and the same indexing convention. (Easy to check this in the data processing task when importing the second data

[ccp4bb] Rolling call open for MX beamline P11, PETRA III, DESY

2024-04-09 Thread Hakanpää , Johanna
Dear all, We would like to inform you that the rolling call for proposals for beamtime at MX beamline P11, PETRA III is open. Proposals to beamlines participating in the rolling procedure can be submitted exclusively via this new access route. Submission is possible at any time without a

[ccp4bb] ECM34 - Symposium on Serial crystallography and dynamics/room temperature

2024-04-09 Thread Daniele de Sanctis
Dear colleagues, The ECM34 (https://www.ecm34.org/) is going to be organized in Padova, Italy, from the 26th to 30th of August. As chairpersons of the "M3 Serial crystallography and dynamics/room temperature" we are looking forward to receiving your contributions. We remind you that the

Re: [ccp4bb] How to compare the same protein crystallized in different conditions?

2024-04-09 Thread Briony Yorke
Hi Murpholino, Helen Ginn is developing software to characterise changes in protein structures (especially informative when the changes are small but significant)– there is a web app and a download here: https://rope.hginn.co.uk I recommend watching the youtube tutorial. From: CCP4 bulletin

Re: [ccp4bb] How to compare the same protein crystallized in different conditions?

2024-04-09 Thread Robbie Joosten
Make sure everything is built. Sometimes it is the crystallisation agents that sit at surprising places: https://onlinelibrary.wiley.com/doi/full/10.1002/pro.2923 Cheers, Robbie > -Original Message- > From: CCP4 bulletin board On Behalf Of > Murpholino Peligro > Sent: Tuesday, April