[ccp4bb] Postdoctoral Position of Membrane Protein Structural Biology

2018-08-09 Thread Hu, Jian
Description: A postdoctoral research associate position in membrane protein structural biology/biochemistry is immediately available in the Department of Biochemistry & Molecular Biology at Michigan State University, East Lansing, MI, US. One major direction in Dr. Jian Hu’s laboratory is struc

Re: [ccp4bb] Normalization of B-factors

2018-08-09 Thread Ethan Merritt
On Thursday, 09 August 2018 10:45:07 Pavel Afonine wrote: > > I (personally) think the best answer from these was to look at the > > TLS-subtracted residuals (ie. total B-factor - TLS component) — can’t > > remember who sent it, off the top of my head. > > > > TLS is just an approximation, sometim

Re: [ccp4bb] Normalization of B-factors

2018-08-09 Thread Pavel Afonine
> I (personally) think the best answer from these was to look at the > TLS-subtracted residuals (ie. total B-factor - TLS component) — can’t > remember who sent it, off the top of my head. > TLS is just an approximation, sometimes good and sometimes not. If TLS parameters are refined along with in

Re: [ccp4bb] Normalization of B-factors

2018-08-09 Thread Pearce, N.M. (Nick)
Hi, A quick search of the CCP4BB archive reveals a couple of previous conversations on this topic. I’ll link them here to save repetition — reading through should give you a pretty good idea: https://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg42526.html https://www.mail-archive.com/ccp4bb@ji

Re: [ccp4bb] Normalization of B-factors

2018-08-09 Thread Eleanor Dodson
I wouldnt have thought so. There is a B factor plot as part of CCP4I2 - does that show any pattern of differences between ligand and environ,ment? Eleanor On 9 August 2018 at 10:54, Santhosh Gatreddy wrote: > Hi all, > > I have to compare the B-factors of three of my ligand bound structures of

Re: [ccp4bb] screw axes /system. absenses and phaser/MR solutions

2018-08-09 Thread Eleanor Dodson
Well that is pretty obviously P 2 21 2 - h 0 0 and l 0 0 are obviously present.. The 0 k 0 absences could be generated by a nc translation of x, 1/2, z - do you have that? Twinning is unusual in P2/mmm but possible of course - can you send the pointless log file? Eleanor On 9 August 2018 at

[ccp4bb] Normalization of B-factors

2018-08-09 Thread Santhosh Gatreddy
Hi all, I have to compare the B-factors of three of my ligand bound structures of the same protein which were diffracted to 1.85, 1.98 and 2.01 A resolution. Is it necessary to normalize the B-factors of these structures (dimer in ASU) before comparing them to understand the ligand induced stab

Re: [ccp4bb] screw axes /system. absenses and phaser/MR solutions

2018-08-09 Thread Kajander, Tommi A
Hi Tim - There are reflections in all directions and only one clearly has systematic absenses. Although only few seem to be present in one direction (But thats the h00 direction here + all are present though) -phaser finds with same data P22121 as the strongest solution (few reflections are weak

Re: [ccp4bb] screw axes /system. absenses and phaser/MR solutions

2018-08-09 Thread Tim Gruene
Dear Tommi, did you check whether you collected any reflections at all that should be absent for the second screw axis? If there are non - which could easily happen with low resolution, incomplete data - pointless and XDS might be conservative and not estimate the likelihood for the second screw-a