Re: [ccp4bb] nad woes

2009-03-19 Thread Rob Meijers
contain a substrates to convert NAD+ into NADH in the crystal. Best regards, Rob Meijers Synchrotron Soleil --- On Thu, 3/19/09, Jan Abendroth jan.abendr...@gmail.com wrote: From: Jan Abendroth jan.abendr...@gmail.com Subject: [ccp4bb] nad woes To: CCP4BB@JISCMAIL.AC.UK Date: Thursday, March 19, 2009

Re: [ccp4bb] nad woes

2009-03-19 Thread Eleanor Dodson
Even for NAD I think I would make my own new dictionary. If you go to the ebi site ( now pdbe) ask for Msdchem ( is it PDBeChem now?) Get the idealised NAD coordinates with the remediated nomenclature Submit the coordnates to the ProDrg server. Retrieve the REFMAC dictionary Use PDB and

Re: [ccp4bb] nad woes

2009-03-19 Thread Thomas Edwards
Subject: [ccp4bb] nad woes To: CCP4BB@JISCMAIL.AC.UK Date: Thursday, March 19, 2009, 12:50 AM Hi all,is there any wisdom on NAD out there? I experience some strange behaviour ofthis common cofactor.With moderately convincing density, probably low occupancy of a cofactor thatcame along for the ride from E

Re: [ccp4bb] nad woes - yet another question regarding ligand restraints

2009-03-19 Thread Boaz Shaanan
Subject: Re: [ccp4bb] nad woes To: CCP4BB@JISCMAIL.AC.UK Even for NAD I think I would make my own new dictionary. If you go to the ebi site ( now pdbe) ask for Msdchem ( is it PDBeChem now?) Get the idealised NAD coordinates with the remediated nomenclature Submit the coordnates to the ProDrg

Re: [ccp4bb] nad woes

2009-03-19 Thread Paul Emsley
Eleanor Dodson wrote: Even for NAD I think I would make my own new dictionary. I must say that I would not (in the general case that is, there may be an argument for doing so for NAD). There will be a price to pay at deposition time. To address your particular problem (and Ignoring the

Re: [ccp4bb] nad woes

2009-03-19 Thread Borhani, David
To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] nad woes Eleanor Dodson wrote: Even for NAD I think I would make my own new dictionary. I must say that I would not (in the general case that is, there may be an argument for doing so for NAD). There will be a price to pay at deposition

[ccp4bb] nad woes

2009-03-18 Thread Jan Abendroth
Hi all, is there any wisdom on NAD out there? I experience some strange behaviour of this common cofactor. With moderately convincing density, probably low occupancy of a cofactor that came along for the ride from E coli, Refmac5.5.0088 pulls the AN6 atom out of the adenine plane. With my