Re: [ccp4bb] mysterious density

2022-03-14 Thread Diana Tomchick
Contour the 2Fo-Fc map at lower sigma than 1.3, and see if the resulting density looks like MES. As others have said, if there is no specific pocket or interactions for the non-sulfonic acid head group, then I would expect that density to be weaker or smeared out due to positional disorder.

Re: [ccp4bb] mysterious density

2022-03-13 Thread David Briggs
2022 17:28 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] mysterious density External Sender: Use caution. A MES buffer molecule ? > Le 13 mars 2022 à 18:08, doriano lamba a écrit : > > Glycerol-3-phosphate? > My 2cents > DL > Il 2022-03-13 15:19 Amir Khan ha scritto:

Re: [ccp4bb] mysterious density

2022-03-13 Thread Xavier Brazzolotto
A MES buffer molecule ? > Le 13 mars 2022 à 18:08, doriano lamba a écrit : > > Glycerol-3-phosphate? > My 2cents > DL > Il 2022-03-13 15:19 Amir Khan ha scritto: >> Hi, >> I wonder whether anyone can advise on the ‘tadpole’ like density. >> The head is currently a phosphate >> and I’ve placed a

Re: [ccp4bb] Mysterious density

2010-09-03 Thread Janet Newman
] On Behalf Of Jin H. Park [jinhp...@mail.med.upenn.edu] Sent: 04 September 2010 09:53 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Mysterious density Dear CCP4 community, I have solved the structure. But, there seems oddly strong density above histidine residue. What could this density

[ccp4bb] Mysterious density

2010-07-09 Thread Nick Quade
Dear CCP4 community, I have solved the structure of a protein in complex with DNA. But, inside the protein there seems to be a ligand binding pocket with some strong density (*http://picasaweb.google.de/113264696790316881054/Desktop#). *The protein was in Tris buffer, with some NaCl, MgCl2

Re: [ccp4bb] Mysterious density

2010-07-09 Thread Paula Lario
Another thing to consider is alternate ligand conformation. The water density (elongated) and the pocket composition (aromatic) could result in two alternative binding orientations (of the buffer? I need 3D). I would play around with models to see if it fits the density. Paula Lario

Re: [ccp4bb] Mysterious density

2010-07-09 Thread Dale Tronrud
Cyclized DTT can look similar to this blob. Of course the sulfur atoms would make one end of the blob more dense than the other. Dale Tronrud On 07/09/10 05:12, Nick Quade wrote: Dear CCP4 community, I have solved the structure of a protein in complex with DNA. But, inside the protein