[ccp4bb] Refmac twin refine works for Amplitude based but not Intensity based

2017-03-02 Thread Xiao Lei
Dear CCP4bb members, I have a dataset of 3A, twinned data (twin fraction 0.15) set of space group P6222, I solved the structure by phaser (TFZ>10, LLG>1000) with space group P32 and build model to Rfree/R 30% 26%. I then tried twin refinement in Refmac, after I tried amplitude based refine the Rf

[ccp4bb] Test system for binding energy predictions

2017-03-02 Thread Sampson, Jared
Dear crystallographers - I've been trying without success to find a suitable system to test a method for predicting change in binding energy (delta-delta-G) due to mutations of protein-protein complexes that result in a change in net charge. In particular I'm looking for a system with the fol

Re: [ccp4bb] Coot and Pymol 3D in Quadro M4000 Graphics Card under Windows 10

2017-03-02 Thread Xiao Lei
Hi All, Just share my experience, Windows 10 works for pymol 3D under Quadro M4000 with Nvidia 3D kit (no need to connect the 3 pin MINI DIN, Quadro M4000 does not have 3 pin Mini DIN connections). I use Asus 24 inch 3D monitor, connect the monitor with display port to display port of Quadro M4000

Re: [ccp4bb] How to refine this needle crystal of membrane complex?

2017-03-02 Thread Keller, Jacob
I'll add another favorite to that one (below.) I especially enjoy the tracking of the intensities of the Bragg *rods* along their lengths, showing how the 2D lattice only chops reciprocal space in two dimensions, leaving the third dimension continuous. JPK Nature. 1975 Sep 4;257(5521):28-32. T

Re: [ccp4bb] Dimer in SDS-PAGE

2017-03-02 Thread Bert Van-Den-Berg
Hi Rich, I'm not sure but I imagine it would also apply to single span proteins. I have never encountered a helical membrane protein that could be boiled w/o aggregating, even very stable ones. Of course, a more elaborate sample preparation involving boiling, sonication and urea as mentioned b

Re: [ccp4bb] Crystallization with no precipitant

2017-03-02 Thread Enrico Stura
Dear ccp4bb, 1. Why would you need a precipitant to crystallize a protein? The principle of salting-in/salting-out means that as you remove the salt that keeps a protein soluble, the protein will tend to come out of solution and given the right conditions, crystallize. 2. From the solubilit

Re: [ccp4bb] How to refine this needle crystal of membrane complex?

2017-03-02 Thread Tim Gruene
Dear Phoebe, I am sure Jakob is aware of this publication and the impressive work as much as I am. The two of us were discussing electron crystallography (not microscopy!) of 3D crystals, not of 2D crystals. The first such structure was deposited at the PDB by Tamir Gonen no earlier than 2013.

Re: [ccp4bb] Twinning and R-Free

2017-03-02 Thread Eleanor Dodson
How have you assigned the Free R set? If there is twinning you need to make sure that the related reflections have the same FreeR assignment. This is now standard in the new FreeR software written by Ville, and called from GUI2, but it used to require some jiggery poky to achieve. Next question -

[ccp4bb] Several postdoc positions are immediately available at ShanghaiTech University

2017-03-02 Thread joy yang
Several postdoc positions are immediately available in Prof. Ian A. Wilson’s Lab of Antibody Structure at Shanghai Institute for Advanced Immunochemical Studies (SIAIS), ShanghaiTech University ( http://siais.shanghaitech.edu.cn/eng/research7.asp), China. SIAIS is an innovative research institute d