Re: [ccp4bb] Residual densities!

Hi Lijun, once you solved and refined the structure, and you used for this the anisotropy truncated data, please PDB deposit both: manipulated data (the one you used for refinement the model), and the original dataset. This is very important. One day the software will be able to handle

[ccp4bb] Fifth Max Perutz prize of the E.C.A. to Prof. Claude Lecomte

News just received from the French Crystallographic Association (and thus forwarded to ccp4bb): The fifth Max Perutz Prize of the European Crystallographic Association goes to to Professor Claude Lecomte from Nancy Université and CNRS, France. Claude Lecomte is recognised for his

Re: [ccp4bb] Crystal growth time lapse movies.

FWIW it's still at http://web.archive.org/web/20050124153157/http://microgravity.msfc.nasa.gov/snell/vibration.html HTH, Kay David Briggs schrieb: Hi all I'm doing a quick talk on crystals/crystallography for a lay audience in a couple of weeks time, and I'm looking for some time lapse

[ccp4bb] Buccaneer 1.5 error on Mac OS X 10.6.4

Dear all, I'm having trouble running buccaneer 1.5 from within ccp4i on mac os x 10.6.4 with the following error: *** * Information from CCP4Interface script

Re: [ccp4bb] Buccaneer 1.5 error on Mac OS X 10.6.4

Maybe your PYTHONPATH isn't set? echo $PYTHONPATH should give /sw/share/xtal/ccp4-6.1.13/share/python/ (This should happen automatically from the setup scripts however) Alexander Batyuk wrote: Dear all, I'm having trouble running buccaneer 1.5 from within ccp4i on mac os x 10.6.4 with

Re: [ccp4bb] Buccaneer 1.5 error on Mac OS X 10.6.4

Thank you! export PYTHONPATH=/sw/share/xtal/ccp4-6.1.13/share/python/ added to my .bash_profile did the trick Alex On Jul 22, 2010, at 11:22 AM, Kevin Cowtan wrote: Maybe your PYTHONPATH isn't set? echo $PYTHONPATH should give /sw/share/xtal/ccp4-6.1.13/share/python/ (This

Re: [ccp4bb] Residual densities!

Dear Lijun Liu, You can use the CCP4 prog sftools to determine if there are just a few strong reflections. Adam On Tue, 20 Jul 2010, Lijun Liu wrote: Hi all, I solved a structure and the refinement is close to complete. However, some residual density puzzles me. The SG is P212121,

[ccp4bb] Introducing one-click access to PDB data at PDBe

Introducing one-click access to PDB data at PDBe When you visit the newly redesigned home page of the Protein Data Bank in Europe (PDBe; http://pdbe.org/), the panel in the centre of your screen (labelled Home) provides one-click access to PDB

[ccp4bb] Postdoctoral Research Assistant position at ORNL in neutron crystallography

Applications are invited for a Postdoctoral Research Assistant position in structural biology/chemistry funded by the National Science Foundation (NSF) for a fixed-term duration of two years and administered jointly by the Middle Tennessee State University (MTSU) and Oak Ridge National

[ccp4bb] SAXS/validation post-doc position available

There is an EMBL Interdisciplinary Post-doc (EIPOD) position available to work on the validation of low-resolution structural models obtained from small-angle X-ray scattering (SAXS). The project is a collaboration between EMBL Hamburg (Svergun), EMBL Heidelberg (Gavin) and the EBI (Kleywegt),

[ccp4bb] which software can calculate binding energy

Dear All I have been using the Autodock software for docking the drug candidate compounds into the receptor structures. I would like to calculate accurately the binding energy. Would anyone introduce me a software? Any help would be greatly appreciated. Best Min

Re: [ccp4bb] which software can calculate binding energy

Dear Min, There is no software that can accurately calculate the binding energy of a predicted (docking) or solved (X-ray structure) protein-ligand complex particularly for ligands that are different chemically - not part of a congeneric series.While there are a number of publications on

[ccp4bb] Announcing CNS, version 1.3

== Announcing version 1.3 (general release) of the software: Crystallography NMR System (CNS) (copyright 1997-2010, Yale University) ==

[ccp4bb] Quality of His-Select Resin After Regeneration

Hi. We have been using His-Select Resin from Sigma in our lab for a number of years now. When we first bought the resin, I usually got much better purity of His tagged proteins compared with regular Ni-NTA resin. However, after regenerating the resin several times, the level of purity seems to

Re: [ccp4bb] Quality of His-Select Resin After Regeneration

The Agarose superflow material is I think the same for Talon (Clontech) and Qiagen, not sure about Machery Nagel or Sigma's product. Superflow agarose is cross-linked differently than normal sepharose/cross-linked agarose. The nature of chelates and their attachments also differ. Qiagen,

Re: [ccp4bb] Quality of His-Select Resin After Regeneration

Hello Matthew, I almost always charge my IMAC resin with Co instead of Ni. I find that it gives much better purity because the selectivity is better. This is because the coordination sphere around the Co atoms require more His residues than the Ni coordination sphere. I believe Co requires 4

Re: [ccp4bb] Quality of His-Select Resin After Regeneration

Hi, His-Select has been my favorite resin for IMAC for as long as Sigma's been selling it. It's not the cheapest resin but at roughly $11/ml packed bed volume and a capacity of ~10-20 mg protein per ml of resin bed (depends on protein size, quality, and other factors) there seems to be little