[ccp4bb] This time, it's all bio: SwissFEL makes protein structures visible | Paul Scherrer Institut (PSI)

https://www.psi.ch/media/this-time_-its-all-bio-swissfel-makes-protein-structures-visible Prof. Gebhard F.X. Schertler Structural Biology ETH Zürich D-BIOL Head of Biology and Chemistry Division Paul Scherrer Institut Laboratory of Biomolecular Research, LBR OFLC 109 CH-5232 Villigen PSI gebh

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

Just to add to a comment on this, while global radiation damage is visually noticed in the tail off of high resolution reflections, all the reflections are impacted. It is best to collect the low resolution data first with much reduced exposure time, attenuated beam, and make use of the larger o

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

Dear Auto,with such crystals diffracting like rocks, it can be useful to collect two datasets. One at “low" resolution (up to 3A)  using low exposure time and/or low dose to avoid overloads and a second at higher resolution (1A in your case) using higher dose. Then, merge those two datasets into a

[ccp4bb] Research Scientist position at UT Health Science Center, San Antonio, Texas

A *Research Scientist* position is available immediately in my lab at University of Texas Health Science Center San Antonio to pursue mechanistic and structural studies on protein-nucleic acid complexes in pediatric cancers. The successful applicant should hold a PhD, have a strong background in

[ccp4bb] U-M Center for Structural Biology Research Fellow position

On behalf of Ashley Schork, University of Michigan: Good morning, I am reaching out on behalf of Jeanne Stuckey from the University of Michigan Life Sciences Institute Center for Structural Biology. The Center for Structural Biology,

[ccp4bb] Tom Steitz

It is with a heavy heart that I pass along these news. Tom Steitz passed away yesterday afternoon. Thierry Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (2000 Galloping Hill Road, Kenilworth, New Jersey, USA 07033), and/or its affiliates Di

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

Hi I forgot something - "paired refinement" is the current gold standard for determining a sensible resolution cut-off (see other ccp4bb discussions on the topic). On 10 Oct 2018, at 11:49, Harry Powell wrote: > Hi > > As a referee, if I had been supplied with data processing statistics that

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

Hi As a referee, if I had been supplied with data processing statistics that indicate there is good information going to a higher resolution than that used for refinement etc, I would want to know why the data had been cut off. "Making life easier" wouldn't cut the mustard, I'm afraid! Clearl

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

Perhaps these were all mentioned already, but here are some points...looking at your statistics, I would definitely process it to even higher resolution, not lower. I understand the detector might not have been close enough for that (happens often nowadays). You might start seeing hydrogens, dou

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

I agree with Pavel... if you got so many observations you dont need TLS but use anisotropic adps. What I want to add is the dangerous comment to "cutting back data ... to improve Rfact" Of course, if you lower the amount of observations while keeping the parameters to fit constant will lower you

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

Hi Pavel, Obviously higher resolution typically means a more accurate atomic model of a crystal structure, but I also think that a 1.05 Ang structure is only going to provide you with a great deal more insight than a 1.1 or 1.2 Ang structure in very specific cases. Particularly if your stats

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

Hi Tony, I always feel some people are too "greedy" with the resolution they want to > achieve. I mostly find that extremely high density is a pain to work with > as it's usually accompanied by many dual, triple conformers, a lot of noise > in the solvent phase that is often difficult to interpret

Re: [ccp4bb] Issue with high Rfree (0.25) for a high-resolution dataset (1.05 Ang)

Hi Guto, I always feel some people are too "greedy" with the resolution they want to achieve. I mostly find that extremely high density is a pain to work with as it's usually accompanied by many dual, triple conformers, a lot of noise in the solvent phase that is often difficult to interpret,

Re: [ccp4bb] structure with missing density

Hi Deepanshu, how complete the data set? What's completeness across resolution zones? Systematically missing reflections can have systematic impact in real space (maps). I've seen entire ligands or domains disappear due to missing low-resolution data. Just another check-point to consider.. Good