Re: [ccp4bb] Patterson Map missing a peak?

2009-09-14 Thread Nicholas M Glykos
Hi Engin, Two thoughts: * Is the Patterson map consistent ? (with different resolution ranges, exclusions, ...). You could possibly give 'GraphEnt' a try [assuming it still works with current generation mtz files]. * The number of heavy atoms may be much larger and may deviate from the know

Re: [ccp4bb] Using SAXS data for phasing at mediocre resolution.

2009-09-14 Thread James Holton
There is a program called FSEARCH in the CCP4 Suite that will dock EM maps, SAXS envelopes or what have you into a unit cell. However, I am not aware of any instances where a novel crystal structure (~4 A or better and no NCS) was solved this way. It is not for want of trying! I think the la

Re: [ccp4bb] Using SAXS data for phasing at mediocre resolution.

2009-09-14 Thread mjvdwoerd
Hi Francis, There is an older paper that mentions this idea: Tsao et al, Acta Cryst B48 (1992), 75-88. However, when you look at the paper, small-angle scattering data is not the only thing that was used. In particular, if my memory serves me right, the 60-fold averaging applied to the proble

Re: [ccp4bb] Preparation of seed-stocks without seed-beads

2009-09-14 Thread Ed Pozharski
You can use the glass cell disruption pestle http://www.vwrsp.com/catjpg/mp0/mp0440.jpg to grind them up. They cost money, of course, and if you plan to buy something, why not go for seed bead kit? But if you want something very cheap, then you'll find this amazing discovery interesting: "Oute

Re: [ccp4bb] Strange Merohedral Twin result

2009-09-14 Thread Eleanor Dodson
Neha Kharbanda wrote: Dear All, I submitted my processed.hkl file to the Merohedral Twin server and the results are bit strange the curve corresponding to my data goes below the perfectly untwinned red line..the complete opposite of the theoretically twinned red curve line. Has anyone

[ccp4bb] Using SAXS data for phasing at mediocre resolution.

2009-09-14 Thread Francis E Reyes
Hi all I'm looking for anyone who has had (practical) experience using SAXS data to phase 4.2 A crystals. Please email me. FR - Francis Reyes M.Sc. 215 UCB University of Colorado at Boulder gpg --keyserver pgp.mit.edu --recv-keys 67BA8D5D 8AE2 F

[ccp4bb] Strange Merohedral Twin result

2009-09-14 Thread Neha Kharbanda
Dear All, I submitted my processed.hkl file to the Merohedral Twin server and the results are bit strange the curve corresponding to my data goes below the perfectly untwinned red line..the complete opposite of the theoretically twinned red curve line. Has anyone seen such a thing befor

[ccp4bb] Joint Autumn Meeting of the IG and YCG 2009

2009-09-14 Thread Arefeh Seyedarabi
Joint Autumn Meeting of the IG (Industrial Group) and YCG (Young Crystallographers Group), 2009 At The World of Glass, St. Helens The meeting will be held on Thursday 5th November 2009 Runs from 10.30 till 16.30 With free registration for all YC's For non-YC members the registration fee is £8

[ccp4bb] Low water Bfactors and TLS: a summary

2009-09-14 Thread Alasdair K. Mackenzie
The problem: Extremely low Bfactor values for water molecules after TLS refinement (Bfact. = 2) despite being associated with sidechains with much higher Bfactors. The problem apparently arises because REFMAC includes the waters in TLS groups by default. The solution: exlude the waters from TLS re

[ccp4bb] Crystallisation at pH 2.0

2009-09-14 Thread Marta Martínez
Dear all Anybody has experience in protein crystallization at pH 2.0? Conditions, buffers, temperature...? Thanks a lot Marta Dr. Marta Martínez Júlvez Departamento de Bioquímica y Biología Molecular y Celular Facultad de Ciencias Universidad de Zaragoza Pedro Cerbuna 12 50009-Zaragoza Spain

Re: [ccp4bb] Low Bfactor values for waters after TLS

2009-09-14 Thread Eleanor Dodson
Yes - I have had a similar problem.. We need a reply from Garib.. Eleanor Alasdair K. Mackenzie wrote: Greetings CCP4-ers, I have been running some TLS refinement which does wonders for my R/Rfree values, but seems to give some spurious Bfactors/ADPs for the waters, e.g. B= 2. These low Bfa

[ccp4bb] Crystallographer position at Syngenta - permanent post

2009-09-14 Thread jane . wibley
Dear All, A permanent post is on offer at Syngenta. Enquiries are welcome but please only apply online via the website. Protein Crystallographer Jealott's Hill, Bracknell, Berkshire Syngenta is one of the world's leading companies with more than 24,000 employees in over 90 countries. As