Re: [ccp4bb] Highest resolution of X-ray / neutron / electron crystallography, cryo EM

2020-06-09 Thread Gerard Bricogne
Dear Tobias, Thank you for identifying the 0.6A resolution structure solved by electron diffraction as 6KJ3. This is a good, genuine de novo structure determination using direct methods (SHELXD) on high-resolution data. The R-values are not flattering (above 30%) but one can't expect too

Re: [ccp4bb] Highest resolution of X-ray / neutron / electron crystallography, cryo EM

2020-06-09 Thread James Holton
The molecular weight of the Hope Diamond is about 5.5e24 Daltons, and I bet it diffracts to better than 1.0 A. For every rule there are exceptions, and for every distribution there are "outliers".  Maybe a more informative number would be obtained after discarding the best 1-5% and see what

Re: [ccp4bb] Highest resolution of X-ray / neutron / electron crystallography, cryo EM

2020-06-09 Thread radu
Hi Tobias,For what is worth, we report 1.22 A for single particle cryo-EM ;-)) But very likely there is more in that dataset, we should know soon.Best wishes,RaduOn 9 Jun 2020 3:11 pm, Tobias Beck wrote:Dear all,Thanks a lot! (I should have used the PDB query myself for neutrons, sry, my bad)As

Re: [ccp4bb] Highest resolution of X-ray / neutron / electron crystallography, cryo EM

2020-06-09 Thread Tobias Beck
Dear all, Thanks a lot! (I should have used the PDB query myself for neutrons, sry, my bad) As there was a request to share the bioRxiv links, here they are: https://www.biorxiv.org/content/10.1101/2020.05.21.106740v1 https://www.biorxiv.org/content/10.1101/2020.05.22.110189v1 along with the

Re: [ccp4bb] Highest resolution of X-ray / neutron / electron crystallography, cryo EM

2020-06-09 Thread Steiner, Roberto
Just queried the PDB and found 4AR3 for neutron at 1.05A. Best Roberto On 9 Jun 2020, at 14:46, Tobias Beck mailto:tobiasb...@gmail.com>> wrote: Dear all, Thanks for the link to the latest BioRxiv papers! So for cryo EM it is 1.2 now. Any numbers for neutron? Best, Tobias. Tobias Beck

Re: [ccp4bb] Highest resolution of X-ray / neutron / electron crystallography, cryo EM

2020-06-09 Thread Edward Snell
I’m reminded of a comment Wim Hol made at an ACA meeting many years ago during a discussion of resolution. He noted that you had to add molecular weight into the equation also to really get a handle on how impressive an experiment is. Some proteins are larger small molecules, others are tour de

Re: [ccp4bb] Highest resolution of X-ray / neutron / electron crystallography, cryo EM

2020-06-09 Thread Tobias Beck
Dear all, Thanks for the link to the latest BioRxiv papers! So for cryo EM it is 1.2 now. Any numbers for neutron? Best, Tobias. Tobias Beck schrieb am Di. 9. Juni 2020 um 15:35: > Dear all, > > I was asked by a student what the highest resolution is, for each of the > four methods listed

Re: [ccp4bb] Highest resolution of X-ray / neutron / electron crystallography, cryo EM

2020-06-09 Thread Artem Evdokimov
Recent cryoEM resolution in apoferritin (yes, the Lysozyme of cryoEM, but still) seems to be 1.2 A by two groups in the UK and Germany. Notably (yes, I am kidding, please don't think that I really believe this) the resolution of MODEL structures is ZERO angstroms :) It's perfectly good... as long

[ccp4bb] Highest resolution of X-ray / neutron / electron crystallography, cryo EM

2020-06-09 Thread Tobias Beck
Dear all, I was asked by a student what the highest resolution is, for each of the four methods listed above. Maybe someone has researched the current numbers previously and would like to share them? For X-ray, I found 0.48 A in the PDB. For EM method details, the PDB gives me 0.6 A, but it is

Re: [ccp4bb] CCP4I2: non standard ssh port for remote jobs

2020-06-09 Thread Michael Weyand
Dear Stuart, yes, you are right. I also submitted successfully a first Phaser job to our number cruncher. Thanks a lot for this fast work around. To ask for the SSH port setting within the final user/password window would be extremely helpful to avoid a fixed port setting. An egoistic dream on

Re: [ccp4bb] CCP4I2: non standard ssh port for remote jobs

2020-06-09 Thread Stuart McNicholas
Apologies, it did work for me, I think. I just hadn't set my username. On Tue, 9 Jun 2020 at 09:45, Stuart McNicholas wrote: > My idea seemingly hasn't worked for me. I'll keep trying. > > On Tue, 9 Jun 2020 at 09:17, Stuart McNicholas < > stuart.mcnicho...@york.ac.uk> wrote: > >> Dear Michael,

Re: [ccp4bb] CCP4I2: non standard ssh port for remote jobs

2020-06-09 Thread Stuart McNicholas
My idea seemingly hasn't worked for me. I'll keep trying. On Tue, 9 Jun 2020 at 09:17, Stuart McNicholas wrote: > Dear Michael, >I think that the port number is hardwired in CCP4i2 on line 439 of > $CCP4/share/ccp4i2/core/CCP4JobServer.py > > transport =

Re: [ccp4bb] CCP4I2: non standard ssh port for remote jobs

2020-06-09 Thread Martin Noble
Dear all, This is a very good idea for development: with many of us port-forwarding to access resources from home, the capacity to specify a non-standard port for ssh connections in i2 can in principle allow submission from a home laptop to a work-based server…very efficient ! Please keep me

Re: [ccp4bb] CCP4I2: non standard ssh port for remote jobs

2020-06-09 Thread Stuart McNicholas
Dear Michael, I think that the port number is hardwired in CCP4i2 on line 439 of $CCP4/share/ccp4i2/core/CCP4JobServer.py transport = paramiko.Transport((sP.machine, 22)) also there are various calls to the "paramiko" library which handles ssh, which do not pass a port number and so