Re: [ccp4bb] Unexplained electron density

2008-09-22 Thread Maria Håkansson
PROTECTED] 212-478-0698 http://www.deshawresearch.com -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Maria Håkansson Sent: Friday, September 19, 2008 8:00 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Unexplained electron density Hello D

Re: [ccp4bb] Unexplained electron density

2008-09-22 Thread Eleanor Dodson
2-478-0698 http://www.deshawresearch.com -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Maria Håkansson Sent: Friday, September 19, 2008 8:00 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Unexplained electron density Hello David and others, Thanks for y

Re: [ccp4bb] Unexplained electron density

2008-09-19 Thread Chavas Leo
Dear Maria -- On 19 Sep 2008, at 01:38, Maria Håkansson wrote: Any suggestions? In addition, could that be a water molecule present at (or near) a special position? Kind regards. -- Leo -- Chavas Leonard, Ph.D. @ home Research A

Re: [ccp4bb] Unexplained electron density

2008-09-19 Thread Borhani, David
> -Original Message- > From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On > Behalf Of Maria Håkansson > Sent: Friday, September 19, 2008 8:00 AM > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Unexplained electron density > > Hello David and others, > > T

Re: [ccp4bb] Unexplained electron density

2008-09-19 Thread Maria Håkansson
Hello David and others, Thanks for yur comments. I guess it might be as simple as water molecules, present in the structure but not at the same time. The density looks like a rod with uneven distribution. Both ends of the rods (1.7-1.8 Å in between) make hydrogen bonds to protein or other

Re: [ccp4bb] Unexplained electron density

2008-09-19 Thread David Briggs
Hi Maria, Initial questions: 1) What's present in crystallisation/purification buffers? 2) Are any other ligand visible for the 9sigma peak? 3) Does the 9 sigma peak also have a peak in an anomalous difference map? Assuming 1.7A is accurate (and with 1.5A resolution, you'd hope it would be!) a me

[ccp4bb] Unexplained electron density

2008-09-18 Thread Maria Håkansson
Hello All, I have a problem with a 9 sigma positive peak 1.7 Å away from a water molecule (or what I believe is a water molecule). There are several similar peaks in my map though only one is as high as 9 sigma. My first thought was to exclude these too close waters. However the R- values