Re: [ccp4bb] Yet another "what's my blob" thread

2017-10-02 Thread Roger Rowlett
Blob one is something possibly distorted by alternate partial occupancy binding sites near a symmetry axis. Blob 2 could be a chloride ion, or if that is not enough density, maybe bicarbonate. Blob 1 seems to be attracted two His residues, of the things in your mixture, Mg(II) seems possible or Cl-

Re: [ccp4bb] Yet another "what's my blob" thread

2017-10-02 Thread Keller, Jacob
Looks like it's at a symmetry/NCS axis, so that complicates appearances... JPK -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Lucas Sent: Monday, October 02, 2017 6:06 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Yet another "what's my blob" thr

Re: [ccp4bb] Yet another "what's my blob" thread

2017-10-02 Thread Artem Evdokimov
Acetate or carbonate? It seems flat, loves arginine and does seem to hbond with a his... On Oct 2, 2017 6:06 PM, "Lucas" wrote: > I'm in the later stages of solving a structure which contains two > tetramers in the asymetric unit. I found these two blobs (in > equivalent positions on each tetram

[ccp4bb] refmac mixed anisotropic refinement

2017-10-02 Thread Abhishek Anan
Dear all, How does one exclude water from anisotropic refinement in refmac5.8 under ccp4-7.0 Here is the relevant section from the com file, refi - type REST - resi MLKF - meth CGMAT - bref MIXED anisou residues from 100 A to 200 A This does not work and the logfile has the foll

[ccp4bb] Structural Biology Postdoctoral Position

2017-10-02 Thread Wai-Hong Tham
 https://www.wehi.edu.au/research-officer-infection-immunity-division An opportunity exists for a Research Officer to join the Infection and Immunity Division at the Walter and Eliza Hall Institute to study the molecular events that occur during malaria parasite entry into human red blood cells.

Re: [ccp4bb] query of B chain model of protein

2017-10-02 Thread benjamin bax
Hi, Looks like you have some density for same conformation as in A chain. It could be you have two (or more) conformations for some parts of the structure in MolB. It is often tricky to sort out when you have two conformations for residues and map is ambiguous (and at 2.8A). I would rigid b

Re: [ccp4bb] query of B chain model of protein

2017-10-02 Thread Eleanor Dodson
Not much idea. I tend to build small amounts at the termini of your current model using the better model as a guide then re-refine and hope you can keep going.. Eleanor On 2 October 2017 at 15:42, Vikram Dalal wrote: > Hi all, > > > I am solving a protein data of 2.6 A. It has two monomers in A

Re: [ccp4bb] PDB search help

2017-10-02 Thread Gloria Borgstahl
Our RPA14/32 crystals from 2007 included full length protein for both subunits (RPA14 and RPA32), but only the central OB fold of RPA32 could be modelled. The crystals included RPA32(1-270) but only 42-176 could be modelled. I remember being very frustrated by not being able to visualize the wHLH

Re: [ccp4bb] PDB search help

2017-10-02 Thread zaigham mahmood khan
Hey Rajesh You may try the following link: Please enter the protein sequence, and scroll down the "Select standard database" tab, and choose "pdb_nr". Once you will "submit" the job, you will most likely get what you want to see! You may pick any pdb ID from the result section, and from pdb.org,

Re: [ccp4bb] Short peptide outliers

2017-10-02 Thread Eleanor Dodson
That is very pleasing! Ramachandran vindicated yet again.. Eleanor On 2 October 2017 at 10:31, Meytal Galilee wrote: > Dear all, > Many thanks for your responses. > Indeed the peptide was wrong handed, flipping the peptide chain fixed all > my outliers issues! > Thanks again! > Meytal > > 2017-1

Re: [ccp4bb] Short peptide outliers

2017-10-02 Thread Meytal Galilee
Dear all, Many thanks for your responses. Indeed the peptide was wrong handed, flipping the peptide chain fixed all my outliers issues! Thanks again! Meytal 2017-10-01 23:12 GMT+03:00 Eleanor Dodson : > That seems strange! You couldn't have built it in the wrong direction > could you? > > Or have

[ccp4bb] Biophysical Characterisation of Macromolecules and Quantification of Biomolecular Interactions

2017-10-02 Thread Anastassis Perrakis
Dear all, I would like to remind you that the deadline for applying to this course is 10 October 2017 https://www.structuralbiology.eu/events/biophysical-characterisation-of-macromolecules-and-quantification-of-biomolecular-interactions/ You can apply at: https://www.aanmelder.nl/96461/subscri