Re: [ccp4bb] small crystals

2013-12-09 Thread CHAVAS Leonard
Dear Jens, Careina this is not really an *advantage*, but rather a *convenience*. You can still use big crystals if you'd like to, but as they usually never survive more than one shot (few femtosec), you'd need a lot of these bigger crystals to collect a full data. And yes, I would also highly

[ccp4bb] Rfree problem

2013-12-09 Thread Nazia Nasir Phd2009,ProteinCrystall.Lab
Hi, I am facing a problem in refining one of my structures. With every refinement the Rwork is going down. However, the Rfree is stuck and is not going down with refinement. I have already solved the structure without the co-factor bound. This structure is with the co-factor bound. Can anyone sugg

[ccp4bb] The cell parameter of the 2-D crystal

2013-12-09 Thread Wei Feng
Dear all, Does anyone know how to calculate the cell parameter of the 2-D protein crystal? The map of the crystal can be found in this blog: http://dingding830106.blog.163.com/blog/static/351191702013111014448546/ Thanks for your time! Best! Wei

[ccp4bb] scala discrepancy between versions

2013-12-09 Thread Jens Kaiser
Dear developers, We have been doing the "local" scaling with scala of multiple wavelengths for some time. We scaled one dataset collected remotely from the absorption edge, and input this to scala as a reference as one batch without any problems. With the latest release of CCP4, though, we get th

Re: [ccp4bb] small crystals

2013-12-09 Thread Jens Kaiser
Careina, If your target is interesting enough, try to reproduce the small crystals in batch and apply for FELS time. Small crystals are actually an advantage there. Cheers, Jens On Wed, 2013-12-04 at 21:41 -0800, Careina Edgooms wrote: > Hi all > > > Any advice on how to get bigger crystals

[ccp4bb] Postdoctoral position in Membrane Proteins in Australia

2013-12-09 Thread Julia Archbold
Hello, We have a postdoctoral position available in 2014 studying membrane proteins involved in the innate immune system. This position is based in Professor Jennifer Martin's laboratory at the Institute for Molecular Bioscience in Brisbane, Australia. The applicant should hold a PhD in structu

Re: [ccp4bb] Experience with Biomek 2000 liquid-handling system

2013-12-09 Thread Pius Padayatti
Phil, How about Alchemist from Rigaku automation Please consider Alchemist for your next purchase http://www.rigaku.com/products/automation/alchemistht Padayatti PS On Mon, Dec 9, 2013 at 10:46 AM, Phil Bourne wrote: > The Biomek 2000 is capable of setting up screens. It can handle viscous > l

Re: [ccp4bb] Experience with Biomek 2000 liquid-handling system

2013-12-09 Thread Phil Bourne
The Biomek 2000 is capable of setting up screens. It can handle viscous liquids if the liquid level sensing tools are combined with very slow pipetting. My experience with Biomek 2000 systems is that it is not quicker to prepare anything with them. Their advantage comes in reproducibility and consi

[ccp4bb] MrBUMP not running after update

2013-12-09 Thread jie liu
Dear All I just installed CCP4-6.4 and all the subsequent updates. Now MrBump failed with the following error message: The program run with command: /usr/local/ccp4-6.4.0/bin/ccp4-python -u /usr/local/ccp4-6.4.0/bin/mrbump HKLIN /home/jie/Structures/local/se-p26c8newn6/ccp4_6.3/high_x4c.mtz SEQI

[ccp4bb] Off-Topic: NITPIC ITC software available

2013-12-09 Thread Chad Brautigam
Dear All, Apologies for the off-topic post, but I think there might be a number of people subscribed to this list who also use ITC and would find this useful:   I am pleased to announce the immediate availability of the software program NITPIC.  You may download it from http://biophysics.swmed.

[ccp4bb] Technical and Distributor Support Rôle at Molecular Dimensions Ltd.

2013-12-09 Thread Jeanette Hobbs
Hello, Molecular Dimensions Ltd (Newmarket, England) is seeking an enthusiastic sales-oriented individual to help drive our marketing effort and support our distributors. The rôle will be based in Newmarket and includes providing training and support for our distributor network and assisting a

[ccp4bb] Experience with Biomek 2000 liquid-handling system

2013-12-09 Thread Anton Meinhart
Dear all, does anyone have experience in using a Biomek 2000 liquid-handling system for preparing screens? How does it perform with viscous solutions - e.g. PEGs? How difficult / time consuming are programming and maintenance? Your help is highly appreciated. Toni Meinhart

Re: [ccp4bb] How degenerate keyword in Phaser can be used?

2013-12-09 Thread Randy Read
Hi, We used to allow degenerate solutions (i.e. ones in which only the orientation is known but not the position, or in which the orientation and position within a plane perpendicular to a rotation axes are known), because these can be scored by the same likelihood target used for the rotation

Re: [ccp4bb] Off topic: Problem in reproducing crystal screen

2013-12-09 Thread Bosch, Juergen
another option might be the age of the screen perhaps ? very silly suggestion/question: your pH meter is calibrated before you make your measurements right ? If you have a nano-pH probe (anything that can be added to a 96well reservoir well) you could test what the final pH of your composition i

Re: [ccp4bb] Off topic: Problem in reproducing crystal screen

2013-12-09 Thread Evgeny Osipov
Hello, Nasir, What concentration of your ammonium sulphate stock solution? Do your solution remains immiscible without ammonium sulphate?May be addition of concentrated solution of ammonium sulphate to PEG MME could cause phase separation? Anyway, try to heat your solution a bit as recommended

[ccp4bb] How degenerate keyword in Phaser can be used?

2013-12-09 Thread Rojan Shrestha
Hello, Can somebody tell me how the Phaser degenerate function can be used with MR_BTF? My script is as follows: #my_phaser_run.com phaser << eof TITLe BTF_RUN MODE MR_BTF HKLIn a.mtz LABIn F=Fobs SIGF=Sigma ENSEmble mol1 PDB a.pdb IDENtity 100 # this is model structure not