While I'm quite happy with all the responses this question has provoked there
is an additional point I would like to contribute. It is not enough to say that
you can interpret your map with a model based on what you expect. You have to
also show that you can't interpret your map with any
your inhibitor in
seconds.
Best regards,
Herman
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Naveed A
Nadvi
Sent: Tuesday, April 24, 2012 6:02 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Criteria for Ligand fitting
Dear Crystallographers,
We
explain the weak density.
Good luck,
Jay
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Naveed A
Nadvi
Sent: Tuesday, April 24, 2012 12:02 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Criteria for Ligand fitting
Dear Crystallographers,
We have
: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Pandit,
Jayvardhan
Sent: 24 April 2012 14:56
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Criteria for Ligand fitting
Naveed,
From your description, it appears as if some covalent changes have occurred in
the 2 weeks of soaking
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Criteria for Ligand fitting
Dear Crystallographers,
We have obtained a 1.7 A dataset for a crystal harvested from
crystallization drop after 2 weeks of soaking with inhibitor. The
inhibitor has an aromatic ring and also an acidic tail derived from
other
Dear Crystallographers,
Thank you all for responding! I will try to respond to the suggestions
collectively. I did however have some questions for some of these suggestions...
@Herman Schreuder: I have performed refinement with alt conform as you
suggested. I am not sure how to do
Dear Crystallographers,
We have obtained a 1.7 A dataset for a crystal harvested from crystallization
drop after 2 weeks of soaking with inhibitor. The inhibitor has an aromatic
ring and also an acidic tail derived from other known inhibitors. The active
site hydrophobic crown had been
