[ccp4bb] Fitting of a trigonal bipyrimidal phosphorus

2012-09-10 Thread Sudipta Bhattacharyya
Dear all, Could anybody please tell me how to get the coordinate file and the cif file for the trigonal bipyramidal (TBP) phosphorus (figure given below for your convenience)? Prodrg server is not helping out in this issue. Thanks in advance. Regards, Sudipta. Sudipta Bhattacharyya Senior Resear

Re: [ccp4bb] Same protein showing different SG

2012-09-10 Thread Herman . Schreuder
Dear Dipankar, To me, it looks like you have a (slight) problem with your goniometer/detektor in that e.g. the rotation axis is not exactly horizontal/vertical/perpendicular to the beam, or that the detector parameters (especially when using a swing-out) were not completely correctly refined a

[ccp4bb] Same protein showing different SG

2012-09-10 Thread Dipankar Manna
Dear All, Recently I collected one data set for the protein having SG P222 with a= 36.8, b= 44.7, c= 78.4(reported with compound). I crystallized the protein with same kind of other compound. The diffraction was up to 2.3A. But I am facing problem during indexing. I tried with SGP222 (as report

Re: [ccp4bb] comparing differences across multiple structures of the same protein

2012-09-10 Thread Dale Tronrud
I believe that the definition of "significant" for crystallographic data should be based on the difference map. If a shift of that magnitude causes a feature to appear in the map, then the crystal data is driving the shift. If you can have a shift that large, for the particular atoms in quest

[ccp4bb] comparing differences across multiple structures of the same protein

2012-09-10 Thread Michael Murphy
I am trying to compare structures of the same protein in the apo form and when bound to several different ligands. There are differences, but they are subtle and I am unsure whether they are actually significant or just do to coordinate error or something similar. Is there a theoretical minimum (in

Re: [ccp4bb] where to get jre 1.5_22 for mac osx 10.6

2012-09-10 Thread Steve Darnell
Installing Java 1.5 on Snow Leopard http://chxor.chxo.com/post/183013153/installing-java-1-5-on-snow-leopard From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Ramasubbu, Narayanan Sent: Friday, September 07, 2012 6:41 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] where to ge

[ccp4bb] Job opening for a structural biologist to join the “Biocrystallography and Structural Biology of Therapeutic Targets” group at the Institute for the Biology and Chemistry of Proteins, Lyon in

2012-09-10 Thread Nushin AGHAJARI
A 2 year postdoctoral position with support from the French National Research Agency (ANR) is available at the Institut de Biologie et Chimie des Protéines, a mixed CNRS and University of Lyon 1 research institute in Lyon, to study the human cytosolic 5’-nucleotidase II. This enzyme plays an im

[ccp4bb] Post-Doc position at Diamond Light Source

2012-09-10 Thread Martin Walsh
Dear all - see below for a postdoc position available immediately at Diamond - don't hesitate to contact me directly for more information. Application details can be found on the Diamond web pages (http://www.diamond.ac.uk/Home/Jobs/Current/DIA0766_TH.html) Martin ===

[ccp4bb] MX BAG training at Diamond

2012-09-10 Thread Jitka Waterman
To all Diamond MX BAG Users, Diamond Light Source will be holding the next training day for MX BAG Users on Wednesday 24th October 2012. The aim of the day is to provide BAG users with sufficient training to be able to operate any of the Diamond MX beamlines efficiently and get the most benef

[ccp4bb] Final announcement: EMBO Global Exchange Lecture Course: Structural and biophysical methods for biological macromolecules in solution

2012-09-10 Thread Clement Blanchet
Structural and biophysical methods for biological macromolecules in solution EMBO Global Exchange Lecture Course 29 November-6 December 2012 Hyderabad, India http://events.embo.org/12-macromolecule/index.html The main objective of the Course is to teach the young PhD students and postdocs from

Re: [ccp4bb] where to get jre 1.5_22 for mac osx 10.6

2012-09-10 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Subbu, are you sure you require jre 1.5? The Coeus download site says: "Coeus 4.5 requires Java Runtime Environment 1.6" and "**If you are using an older system (Mac, PC, UNIX, Linux or Solaris) that requires Java 1.5, please use this link" w