[ccp4bb] Biochemist post-doctoral associate position

2023-11-06 Thread O'Neill, Hugh
Biochemist Position at Oak Ridge National Laboratory We are seeking a Postdoctoral Research Associate with expertise in biochemistry and molecular biology to join an interdisciplinary team in the Neutron Scattering Division (NSD) at Oak Ridge National Laboratory. You will contribute to a

Re: [ccp4bb] problem with phenix in macos sonoma 14.1

2023-11-06 Thread Nigel Moriarty
Debipreeta There is a fix with instructions on the download page and it is also here on the Phenix bulletin board ( https://phenix-online.org/pipermail/phenixbb/2023-October/025579.html). Cheers Nigel --- Nigel W. Moriarty Building 33R0349, Molecular Biophysics and Integrated Bioimaging

Re: [ccp4bb] RES: [ccp4bb] About model building

2023-11-06 Thread Oganesyan, Vaheh
You may as well have fun by manually building your molecule B into 1.9A ed map when R-factors are already in mid 30s. Vaheh From: CCP4 bulletin board On Behalf Of Sam Tang Sent: Monday, November 6, 2023 2:02 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] RES: [ccp4bb] About model building

Re: [ccp4bb] RES: [ccp4bb] About model building

2023-11-06 Thread Sam Tang
Dear all Thanks again for more input to the question. And credits to Eleanor and Kay for pointing out the high R-factor and possible issue with the space group. Their advice prompted me to revisit the MR solution and it happens that another solution, in P3121, gave a better map with R-factor

[ccp4bb] RES: [ccp4bb] About model building

2023-11-06 Thread Rafael Marques
Hi Sam. If you still have any of your crystals or any protein solution left in the well you harvested your crystals, I would run a MS/MS with them. Next step would be to run AF with your known chain A and your best Mass Spec hit (s), and use the resulting model for MR. Good luck Rafael

[ccp4bb] Bob Blessing

2023-11-06 Thread Michael Malkowski
It is with much sadness that I write to inform the community that Robert (Bob) Blessing passed away on October 30th. Blessing graduated from King’s College in 1962. He received a Ph.D. in Chemistry from Ohio University, and in the following four years, he carried out post-doctoral studies at

[ccp4bb] Structural Biology Facility Manager vacancy at the John Innes Centre, Norwich UK

2023-11-06 Thread David Lawson (JIC)
Dear All, We have a vacancy for a Structural Biology Facility Manager at the John Innes Centre. The John Innes Centre is an independent, international centre of excellence in plant and microbial sciences. We nurture a creative, curiosity-led approach to answering important questions in

Re: [ccp4bb] About model building

2023-11-06 Thread Boaz Shaanan
Hi, If you still have crystals left, you could soak crystals with KI3 and collect data at Cu wavelength for SAD phasing, which could help you to resolve the missing piece. Maybe. Cheers, Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben Gurion University Beer Sheva, Israel On Nov 4, 2023

Re: [ccp4bb] Mean B value in refmac5

2023-11-06 Thread Qixu Cai
Yes. I tried to weight those B values by occupancies, but the result is still not the same as the value reported by refmac5. Qixu Cai Email: caiq...@gmail.com Eleanor Dodson <176a9d5ebad7-dmarc-requ...@jiscmail.ac.uk> 于2023年11月6日周一 14:04写道: > Are there some atoms with occupancies < 1.0 ?

Re: [ccp4bb] Mean B value in refmac5

2023-11-06 Thread Qixu Cai
I tried both and none of them is the same as reported by refmac5. Qixu Cai Email: caiq...@gmail.com James Holton 于2023年11月6日周一 01:11写道: > Are you averaging over all ATOM records? Or are you including HETATM as > well? > > On 11/5/2023 5:45 AM, Qixu Cai wrote: > > Dear all, > > I found that

Re: [ccp4bb] Mean B value in refmac5

2023-11-06 Thread Qixu Cai
Thanks for your reply. Does the refmac5 program weight the mean B value by the resolution? Qixu Cai Email: caiq...@gmail.com Ian Tickle 于2023年11月5日周日 19:34写道: > The arithmetic mean B value from the structure as quoted everywhere is > pretty meaningless anyway and 10 Ang.^2 either way is

Re: [ccp4bb] About model building

2023-11-06 Thread Kay Diederichs
Hi Sam, What you write does not sound good to me. Did you have Phaser check "all possible [spacegroups] in same pointgroup" (this is how it is called in ccp4i)? P321 is quite rare, compared to P3121 and P3221. If you miss a screw axis, you will not find a solution. An R-factor of 50% does not