Re: [ccp4bb] PDB-derived SF to map

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: PDB-derived SF to map
From: Celeste MacElrevey celeste_macelrevey {- at -} URMC {- dot -} ROCHESTER {- dot -} EDU
Date: 2007-07-06

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From: Jan Abendroth janabend {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2007-07-06

Subject: Re: PDB-derived SF to map
From: Celeste MacElrevey celeste_macelrevey {- at -} URMC {- dot -} ROCHESTER {- dot -} EDU
Date: 2007-07-06

Please disregard this message. I have secured internal assistance - I failed to generate Fcalc and Phicalc in SFall, I understand how to do this now.

Thanks,
Celeste
----- Original Message -----
From: Celeste MacElrevey
To: CCP4BB@JISCMAIL.AC.UK
Sent: Friday, July 06, 2007 3:56 PM
Subject: [ccp4bb] PDB-derived SF to map

Good afternoon bb,

I am at a loss, and I am hoping someone will take the time to help me. I am trying to generate an electron density map, using SFs and coordinates obtained from the pdb. Please feel free to refer me to appropriate threads, I'm having trouble finding them. I have generated an mtz file with hkl, F and sigma. Using FFT I made a simple map - but putting it up in Coot, along with the PDB file I used in FFT, I'm getting a non-sensical map. Clearly, I'm neglecting something important. The log file indicates that it is picking up the space group info (P212121). I don't have a lot of experience trouble-shooting maps in CCP4i. Any advice would be much appreciated. The EDS can't calculate maps for this structure either, it errors out due to R-factor discrepancy.

Many thanks,
Celeste

Celeste M. MacElrevey, Doctoral Candidate
Department of Biochemistry and Biophysics, Box 712
University of Rochester, School of Medicine and Dentistry
601 Elmwood Ave.
Rochester, NY 14642
(585) 276-0346

CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: PDB-derived SF to map
From: Celeste MacElrevey celeste_macelrevey {- at -} URMC {- dot -} ROCHESTER {- dot -} EDU
Date: 2007-07-06

Next message:
Subject: xds, saturn94 and 2theta
From: Jan Abendroth janabend {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2007-07-06