Re: [ccp4bb] refinement protein structure

2013-03-28 Thread Savvas Savvides
Dear Tom in addition to the very valuable input you have received already, I would like to point out that based on the fact that the of your data is above 3 in the highest resolution shell, you will likely be able to push the resolution limits of your analysis to go beyond 1.4 angs resolution.

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Bosch, Juergen
Hi Tom, some suggestions for you: You should calculate a selfrotation function and see if you can learn something from it. You should definitely run Matthews Coefficient and see if you get a brilliant idea there And congratulations to your first crystal structure it looks really great, for a

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Alexander Aleshin
But the amount of time spent on turning a protein into a publishable structural data is pretty much same, if not larger. There are no low hanging fruits any more. On Mar 27, 2013, at 11:50 AM, Frank von Delft wrote: > Is it too much to dream that Tom has set a trail-blazing precedent and > de

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Ravi Nookala
Dear Tom, It goes to show...there are sinners and saints in all walks of life! C'mon, there is a lesson to be learnt in this somewhere! Amen Ravi On 27/03/2013 18:32, Anastassis Perrakis wrote: I think it will be the first time in 15 years I will disagree with Tim. I personally found the postin

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Frank von Delft
Is it too much to dream that Tom has set a trail-blazing precedent and demonstrated to us all how unnecessary it is be anal about our oh-so-precious data and structures that in the year 2013 are almost completely useless without a huge dollop of other experimental data...? On 27/03/2013 18:3

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Anastassis Perrakis
I think it will be the first time in 15 years I will disagree with Tim. I personally found the posting of Tom van der Bergh irritatingly disrespectful in many levels. 1. It does not respect my mailbox capacity 2. It does not respect CCP4 developers posting output from phenix.refine 3. It does n

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Antony Oliver
Dear Tom, I think that we've all actually been rather gently teasing you - admittedly a difficult concept to put across via the medium of e-mail. In fact, I think we've all offered sensible constructive suggestions, and indeed pointed out what you should try next. Apologies for any inadvertent

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Roger Rowlett
Tom, Welcome to the protein crystallography community. I hope you take all the teasing in good humor. And a few protocol lessons about sharing data, etc. By now you have discovered that structure factor files and a possible MR model are like catnip to structural biologists. I learned this whe

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear so-far-posters, I do not know Tom Van den Bergh, nor do I know his background, nor the history of the data, nor the reasons why he may have sent it to this list (although I think he did it to ask for help), but I find these answers irritatingly d

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Steiner, Roberto
we should all chip in a water molecule or two and the second author becomes "the CCP4 community"…. On 27 Mar 2013, at 17:22, Antony Oliver wrote: > At the risk of being somewhat cheeky - perhaps I could claim second author? > I too have successfully solved the structure - and I totally concur

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Antony Oliver
At the risk of being somewhat cheeky - perhaps I could claim second author? I too have successfully solved the structure - and I totally concur with Phil. Placing a second molecule in the asymmetric unit, essentially resolves the perceived R-factor problem. A good thorough manual inspection and r

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Petr Leiman
Since this is now public domain knowledge and if this gets ever published, Phil has my vote to be the first author! Petr On Mar 27, 2013, at 6:09 PM, Phil Jeffrey wrote: > That's quite brave - shipping your entire structure to people that could be > actual competitors. But it was fun to play

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Phil Jeffrey
That's quite brave - shipping your entire structure to people that could be actual competitors. But it was fun to play at 1.4 Angstrom over lunch. Practical points: * not everyone loves 12Mb of attachments in one email in their inbox, so if you do this again please put the files on a webserve

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Eugene Osipov
Dear Tom, I think that only way for you is to make this structure yourself because it is only way to learn something (at first you must ask in your lab). Anyway, as student I can make some brief suggestions and guides for your refinement 1) Find as much info about your protein as possible, especial

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Antony Oliver
Dear Tom, Q1: Are you really supposed to posting this information here? Q2: Is there really NOT anyone you can ask in your own department to help you with this? Some initial hints/ideas/suggestions though - although I actually assume this is meant to be a learning exercise for you …? 1) Have y

Re: [ccp4bb] refinement protein structure

2013-03-27 Thread Petr Leiman
Dear Tom, As far as I know you are the first person who sent his/her data that are supposed to be _private_ to 1000+ CCP4BB subscribers. The person who suggested you send this type of message to CCP4BB board played a very cruel practical joke on you. To CCP4BB support staff: Is it possible to