[ccp4bb] .raw file from SAINT to pointless

2015-01-05 Thread Georg Mlynek
Dear all, I have collected 2 datasets (space group P1, resolution 1.4) on a bruker machine using Proteum2 v2014.9-0 software. I integrated both datasets with SAINT and would like to continue with Pointless - SCALA - Truncate to finally get*scaled but unmerged data* to be able to calculate C

[ccp4bb] capillary counterdiffusion agarose plug

2015-01-05 Thread Georg Mlynek
Dear Colleagues, After reading a few papers about growing suitable crystals for neutron diffraction. I will do capillary counterdiffusion with an agarose plug between mother liquor and protein solution like described in http://www.ncbi.nlm.nih.gov/pubmed/23192028. However I looked quite som

Re: [ccp4bb] capillary counterdiffusion agarose plug

2015-01-05 Thread Sean Seaver
Hi Georg, I haven't used the agarose method, but have sealed many capillaries using bees wax without an issue. Simply heat the wax until it melts, dip the capillary (rotate if it has a larger diameter) then let cool. I hope that helps, cheers! Sean Seaver, PhD P212121 http://store.p212121.co

Re: [ccp4bb] .raw file from SAINT to pointless

2015-01-05 Thread George Sheldrick
Dear Georg, Since you collected your data on a Bruker machine and integrated them with SAINT you should simply scale the .raw files with the Bruker program SADABS and then read them into into XPREP. This can scale the two datasets together and produce either merged or unmerged but scaled data

Re: [ccp4bb] capillary counterdiffusion agarose plug

2015-01-05 Thread Pius Padayatti
https://hamptonresearch.com/product_detail.aspx?cid=10&sid=65&pid=109 Granada box will work for you Thaumatin can be grown to large single crystals suitable size On Mon, Jan 5, 2015 at 9:25 AM, Georg Mlynek wrote: > Dear Colleagues, > > After reading a few papers about growing suitable crystal

Re: [ccp4bb] .raw file from SAINT to pointless

2015-01-05 Thread Phil Evans
As George says, you can do it all with Bruker programs However, Pointless is supposed to read .raw files, but when I wrote the code (at the request of a user) I didn't have complete information, so I may have missed something. The error message is from somehow getting a zero or negative batch

Re: [ccp4bb] capillary counterdiffusion agarose plug

2015-01-05 Thread Artem Evdokimov
Hi, Warmed up capillary and hamilton syringe works fine (i used heat lamps similar to pizza heaters used by all-night pizza joints). You can get a cheap heat lamp from most pet stores (terrarium heaters). Artem On Jan 5, 2015 11:32 AM, "Georg Mlynek" wrote: > Dear Colleagues, > > After reading

Re: [ccp4bb] capillary counterdiffusion agarose plug

2015-01-05 Thread Javier Gonzalez
Hello Georg, You can melt the agarose in a glass container using a microwave oven. Then connect your capillary tube to small syringe, using a plastic tubing or adapter. Use some parafilm if the tubing diameters do not fit exactly, there should be no leaks. Then slowly pull the plunger to take ~100

Re: [ccp4bb] capillary counterdiffusion agarose plug

2015-01-05 Thread Jose A. Gavira
Dear Georg, There are different ways to set-up counterdiffusion experiment but the set-up you mentioned is done in a single capillary. The easiest way is to prepare the agarose and when it is still warm pipette the 100 microL on any surface, I use a piece of parafilm. Them you have to adsorb it wi

Re: [ccp4bb] .raw file from SAINT to pointless

2015-01-05 Thread Georg Mlynek
Dear George and Phil, thanks a lot for the fast answers. Things are unfortunately a bit more complicated and the usually very convenient way using SAINT-SADABS-XPREP has too much limitations for this datasets because 1. It starts with that one datasets has more than 2.000.000 reflections (space

[ccp4bb] Question on Refmac5

2015-01-05 Thread Dialing Pretty
Dear All, When I run Refmac, it would produce a refined PDB file and mtz file. My question is, if I started the refinement at 6:00 pm and completed at 8:00 pm, I find the refined PDB file and mtz file were created in the target directory at perhaps 6:30 pm. I think from 6:30 pm the created PDB f

Re: [ccp4bb] Question on Refmac5

2015-01-05 Thread CHAVAS Leonard
Dear Dialing are you talking about the 'creating date' or the 'modified date'? Leo > On Jan 6, 2015, at 2:55 AM, Dialing Pretty > <03f1d08ed29c-dmarc-requ...@jiscmail.ac.uk> wrote: > > Dear All, > > When I run Refmac, it would produce a refined PDB file and mtz file. My > question is, if

Re: [ccp4bb] Question on Refmac5

2015-01-05 Thread Dialing Pretty
I am talking the "creating date". For my situation, once the PDB file and mtz file were created at around 6:00 pm, with the progression of the refinement and completed at 8:00 pm, the date shown in the directory folder is always 6:00 pm. After 8:00 pm when the refinement finished, I check the pr