Re: [ccp4bb] Small lines in diffraction pattern (more info)

2009-01-30 Thread Herman . Schreuder
, January 29, 2009 5:26 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Small lines in diffraction pattern (more info) Ian and Herman, does one want to convolute the electron density at all? I was under the impression that current thinking favors convolution of the model instead, i.e. placing

Re: [ccp4bb] Small lines in diffraction pattern (more info)

2009-01-29 Thread Jacob Keller
So it would seem that the five-fold periodicity in the spot intensities along the long axis is probably due to a short-range, 34 Ang pseudo-repeat (the decamer) along the true 170 Ang cell axis (170 = 34 x 5). I do not think that the streaks are helical layer lines, because the spacing on the

Re: [ccp4bb] Small lines in diffraction pattern (more info)

2009-01-29 Thread Ian J. Tickle
FILETIME=[831110D0:01C9822E] Yes I agree with that! -- Ian > -Original Message- > From: Andreas Förster [mailto:docandr...@gmail.com] > Sent: 29 January 2009 16:26 > To: herman.schreu...@sanofi-aventis.com; Ian Tickle > Cc: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [cc

Re: [ccp4bb] Small lines in diffraction pattern (more info)

2009-01-29 Thread Andreas Förster
Ian and Herman, does one want to convolute the electron density at all? I was under the impression that current thinking favors convolution of the model instead, i.e. placing both the helices in both orientations at partial occupancy and letting the refinement program figure things out? An

Re: [ccp4bb] Small lines in diffraction pattern (more info)

2009-01-29 Thread Tommi Kajander
riet.ova...@chem.kuleuven.be; CCP4BB@JISCMAIL.AC.UK Subject: RE: [ccp4bb] Small lines in diffraction pattern (more info) Dear Margriet, From your description and what James Holton wrote, it seems that you have 2 types of unit cells: A: with the "sense" strand in position 1 and the "

Re: [ccp4bb] Small lines in diffraction pattern (more info)

2009-01-29 Thread Herman . Schreuder
...@astex-therapeutics.com] Sent: Thursday, January 29, 2009 12:53 PM To: Schreuder, Herman R&D/DE; margriet.ova...@chem.kuleuven.be; CCP4BB@JISCMAIL.AC.UK Subject: RE: [ccp4bb] Small lines in diffraction pattern (more info) Hi Herman Aren't detwinning methods appropriate only in th

Re: [ccp4bb] Small lines in diffraction pattern (more info)

2009-01-29 Thread Ian Tickle
leuven.be; CCP4BB@JISCMAIL.AC.UK > Subject: RE: [ccp4bb] Small lines in diffraction pattern (more info) > > Dear Margriet, > > From your description and what James Holton wrote, it seems > that you have 2 types of unit cells: > A: with the "sense" strand in position 1

Re: [ccp4bb] Small lines in diffraction pattern (more info)

2009-01-29 Thread Herman . Schreuder
argriet Ovaere Sent: Thursday, January 29, 2009 10:45 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Small lines in diffraction pattern (more info) Dear all, There were some comments about detector issues, but these can be ruled o

Re: [ccp4bb] Small lines in diffraction pattern (more info)

2009-01-29 Thread Mark J. van Raaij
The 34-34-34 cell does not predict all the spots, does it? from the diffraction pattern it seems only the 34-34-170 or 34-34-340 cell can predict all spots, so the structure should be solved in the one that predicts all spots. The procedure I would use is to take a 180º dataset, sacrificing so

Re: [ccp4bb] Small lines in diffraction pattern (more info)

2009-01-29 Thread Margriet Ovaere
Dear all, There were some comments about detector issues, but these can be ruled out, to my opinion, since the lines appeared on different beamlines. Default settings of mosflm (spot picking) finds the cell 34 34 34 90 90 90 (pointless indicating P41212) Structure was solved by SAD ph