[ccp4bb] AW: [ccp4bb] AW: [ccp4bb] Fwd: undefined edensity blob at glutamine sidechain

2013-12-11 Thread Herman . Schreuder
: [ccp4bb] Fwd: undefined edensity blob at glutamine sidechain dear all: I. i am not able to fit trp, since 1. trp doesnt fit well 2. positive density comes in fo-fc map after refinement 3. this is a soaked crystal str with heavy atom soln, the native one has perfect density for gln, so mutation to trp

Re: [ccp4bb] Fwd: undefined edensity blob at glutamine sidechain

2013-12-10 Thread vellieux
Well the density strongly suggests a Tryptophan side chain. Sometimes discrepancies (errors) appear in sequences. How certain are you of the accuracy of your sequence? HTH, Fred. On 10/12/13 13:44, PriyankMaindola wrote: ​ dear members i am trying to solve this crystal structure but ​I am

Re: [ccp4bb] Fwd: undefined edensity blob at glutamine sidechain

2013-12-10 Thread Matthias Zebisch
check an anomalous map! The obvious thing to do to rule out gold binding - Dr. Matthias Zebisch Division of Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Roosevelt Drive, Oxford OX3 7BN, UK Phone (+44) 1865 287549;

[ccp4bb] AW: [ccp4bb] Fwd: undefined edensity blob at glutamine sidechain

2013-12-10 Thread Herman . Schreuder
Gesendet: Dienstag, 10. Dezember 2013 14:21 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] Fwd: undefined edensity blob at glutamine sidechain check an anomalous map! The obvious thing to do to rule out gold binding - Dr. Matthias Zebisch Division

Re: [ccp4bb] AW: [ccp4bb] Fwd: undefined edensity blob at glutamine sidechain

2013-12-10 Thread Dale Tronrud
It doesn't look like you left a CN on your gold atom. These things are pretty much covalently bound. Dale Tronrud On 12/10/2013 08:13 AM, PriyankMaindola wrote: dear all: I. i am not able to fit trp, since 1. trp doesnt fit well 2. positive density comes in fo-fc map after refinement

Re: [ccp4bb] Fwd: undefined edensity blob at glutamine sidechain

2013-12-10 Thread Phil Jeffrey
Priyank, I think it's too far out from the Calpha to be Trp, and also not quite flat enough. The map contains more information than just the shape as to identity. Compare the max peak height of the 2Fo-Fc blob near the Gln to neighboring element heights. Much higher than C/N/O ? Probably