[ccp4bb] Difference Map in COOT - Possible lignad but clash with structure?

2007-12-28 Thread Brenda Patterson
Hello, I am fairly new to this lark so please forgive me if this question is unclear, but it is really puzzling me. I have used phaser to generate a molecular replacement structure of my target (which has 100% identity to my template) and this particular crystal I had soaked with a ligand. I

Re: [ccp4bb] Difference Map in COOT - Possible lignad but clash with structure?

2007-12-28 Thread David Briggs
Covalent modification?? Bias in 2fo-fc map? Can you show us a pic of offending density? Dave On 28/12/2007, Brenda Patterson [EMAIL PROTECTED] wrote: Hello, I am fairly new to this lark so please forgive me if this question is unclear, but it is really puzzling me. I have used phaser to

Re: [ccp4bb] Difference Map in COOT - Possible lignad but clash with structure?

2007-12-28 Thread Artem Evdokimov
What's the resolution? At low res it is possible to miss a subtle movement of e.g. some sidechains which are being replaced by the ligand. What quality parameters did the MR have? Can you omit the entire ligand binding site, refine, and re-generate the map - what does it look like after that? A

Re: [ccp4bb] Difference Map in COOT - Possible lignad but clash with structure?

2007-12-28 Thread Lijun Liu
There is another possibility that your ligand is not fully occupied, if the binding site of protein endures an apparent change when bound by ligand. Lijun On Dec 28, 2007, at 7:55 AM, Brenda Patterson wrote: Hello, I am fairly new to this lark so please forgive me if this question is

Re: [ccp4bb] Difference Map in COOT - Possible lignad but clash with structure?

2007-12-28 Thread William Scott
On Fri, 28 Dec 2007 15:55:39 + Brenda Patterson [EMAIL PROTECTED] wrote: Hello, I am fairly new to this lark No problem. With a name like Patterson, your future is guaranteed (unless of course you see everything in the world with intensity but no phase). I have a