Yes, the constant term in the 5-Gaussian structure factor tables does
become annoying when you try to plot electron density in real space, but
only if you try to make the B factor zero. If the B factors are ~12
(like they are in 1m1n), then the electron density 2.0 A from an Fe atom
is not
Le Lundi 17 Septembre 2012 08:32 CEST, James Holton jmhol...@lbl.gov a écrit
Hello
May I add a few words after the thorough comments by James.
I lmay be easier to consider series termination in real space as follows.
The effect of series termination in 3D on rho(r) is of convoluting the exact
Dear all
We have recently collected data at XRD1 beamline at Sincrotrone Trieste on a
Dectris Pilatus detector.
We are unable to integrate the images in mosflm, which keeps crashing with some
error: e.g. profile_fitted_partials or b_slope or some such! (indexing
seems to work ok).
Any
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Dear James et al.,
so to summarise, the answer to Niu's question is that he must add a
factor of e^(-Bs^2) to the formula of Cromer/Mann and then adjust the
value of B until it matches the inset. Given that you claim
rho=0.025e/A^3 (I assume for
Hi all,
I'm integrating data from a crystal with a fairly long axis. In iMosflm
(1.0.7), the background definition is so generous that plenty of pixels
from adjacent peaks are included (see attached). Can someone tell me
how I redefine the background to be tighter around the spots?
Hi Andreas,
The simple answer to this is that you do NOT
attempt to redefine the background. Providing the additional spots
shown in your image belong to the same lattice, mosflm will
automatically exclude pixels from adjacent spots when doing the
background plane
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East Midlands
I am using Phenix 1.8-1069. I am having a problem with phenix refine
terminating with an error message. I added several solvent molecules, MPD
and bicarbonate in Coot, and ran Phenix ReadySet to generate restraints for
them and applied those restraints to all future jobs in that project. When
I
The Structural Molecular Biology (SMB) Group of Stanford Synchrotron
Radiation Lightsource (SSRL, a Directorate of SLAC) has an opening for a
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Dear community,
The protein model I am refining has 400 amino acids (3320 atoms).
Some real quick calculations tell me that to properly refine it
anisotropically, I would need 119,520 observations. Given my unit-cell
dimension and space-group it is equivalent to about a 1.24 A complete data
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Dear,
1.24A resolution is reasonable for anisotropic refinement - including
restraints you have more observations than the number of reflections,
so just doing the calculation does not give a concise answer!
You should try and see if the refinement
On Monday, September 17, 2012 11:31:53 am Yuri Pompeu wrote:
Dear community,
The protein model I am refining has 400 amino acids (3320 atoms).
Some real quick calculations tell me that to properly refine it
anisotropically, I would need 119,520 observations. Given my unit-cell
dimension
Dear Yuri,
Why do you think you need 36 reflections per atom when atoms with anisotropic
B-factors only have 9 parameters? You can get away with much fewer in many
cases especially if you have good restraints. As Ethan points out, a drop in
R-free after adding many parameters may be
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