Dear all,
Our laboratory can undertake Academic or Commercial Project in protein
expression, crystallization of protein/nucleic acid/complex and some
functional study with considerable low cost (or you have to apply in
conjunction with us for the funding of Chinese government).
We have an indepe
Hi,
Thank you all the repliers who kindly offer their hands after my
PREVIOUS posting message. I received around 12 messages in total and the
concensus reply is:
P422 POINT GROUP WITH ONLY ONE MOLECULE IN ONE A.U.(peak (90 45 180)
indicates P422 with the 2-fold crystallographic symmetry alon
I've often wondered whether it would be more fair to report R-factors with
and without waters, since waters can be used to beautify statistics. I
also think providing pdb coordinates and Fobs with experimental phases as
supplementary information in a standard format to be supplied
automatically to
While we're still on the subject of good model-building habits and
reviewing pitfalls, I've been shocked to download a couple of
structures recently that seem to have solvent channels chock full of
allegedly ordered water (many "layers" deep, and not exactly at 0.5A
resolution). To any new stu
Hi folks
a sharp-eyed user has noticed a bug in the Windows version of iMosflm
0.5.3; this does not affect any other version.
If you have already downloaded the Windows version, you should replace the
file "imosflm.tcl" in the top-level imosflm folder with this file -
http://www.mrc
Hi folks
I'm pleased to announce the release of Mosflm version 7.0.1 & iMosflm
version 0.5.3. They can be downloaded from
http://www.mrc-lmb.cam.ac.uk/harry/mosflm/ver701
and
http://www.mrc-lmb.cam.ac.uk/harry/imosflm
respectively.
Note that earlier versions of either program
Phil,
A few points:
1. The recent erroneous structures that I'm aware of had either extremely
high free R values ( 40 - 45%) or unreasonably low free R values (low
twenties) despite the presence of > 80% solvent and gaps in crystal
packing.
2. At low resolution (3.5 A and lower) , maps can
Department: Structural Biology
Location: Berkeley, California
URL: www.plexxikon.com
Start Date: ASAP
Duration: Perminant
Description: Located in Berkeley, California, Plexxikon is a leader in
the discovery and development of novel small molecule pharmaceuticals to
treat human disease. Since opera
I'd rather agree with Miguel.
You certainly have evidence telling your 4-fold is crystallographic
(indexing, cell, ), and you do see it on your k=90 section (of course
also on your 180).
You need to check your k=180 peak heights to compare with the 4-fold
axis: they seem to be so perfectly at
Hi Boaz,
We were informed by an RCSB annotator in April 2006 that the
RCSB had suspended including REMARK 42 records in PDB files
pending the review of the process by the wwPDB.
In looking at the new annotation guidelines, it looks
like the result of that review was to reject the REMARK 42
re
For what it is worth, SHELXL sets the S-H distance to 1.20A. As with other
bonds to hydrogen, this allows for apparent shortening to fit the electron
distribution and also librational effects. An S-H distance determined by
neutron diffraction would be longer.
George
Prof. George M. Sheldrick F
Dear Juergen,
I did a quick check in the CSD and found SG-H bondlengths between 0.587 and
1.338 Ang. for various cysteine derivatives. The most common values where
around 1.33 Ang. but the average may be around 1.1 or 1.2 Ang. I did not work
out any statistics. It seems that the SG-H distance is
I think Garib or Alexei must answer this and they are both on holiday
till the end of August
Eleanor
juergen J. Mueller wrote:
Dear all,
using refmac5 to provide H-atoms for a known protein structure the
distance between CYS-CG and HG is defined to 1.34 Ang. in CYS.cif.
This distance has been
Dear all,
using refmac5 to provide H-atoms for a known protein structure the
distance between CYS-CG and HG is defined to 1.34 Ang. in CYS.cif.
This distance has been critisiced by a non-CCP4 program
by
* Poor covalent bond length of 1.33954 for hydrogen atom HG.
In an other library-file CSH.cif
I worry a bit about some of this discussion, in that I wouldn't like
the free-R-factor police to get too powerful. I imagine that many of
us have struggled with datasets which are sub-optimal for all sorts
of reasons (all crystals are multiple/split/twinned; substantial
disordered regions;
Hi
Just to add to this. imgCIF (or CBF, which amounts to pretty well the same
thing) has fast and efficient compression built in, and has been developed
with protein crystallography (particularly) in mind. There are even (a
few) detectors out there which will write these instead of (or as well
Hi,
I looked at jpeg2000 as a compression for diffraction images for
archiving purposes - it works well but is *SLOW*. It's designed with the
idea in mind of compressing a single image, not the several hundred
typical for our work. There is also no place to put the header.
Bzip2 works pretty much
Dear Yanming
My previous message only holds if there is no sign of twinning.
Alternatively, you may have a near perfect-twinning with a twin
operation corresponding to an rotation around the xy-diagonal and a
crystallographic or non-crystallographic 2-fold axis around x and y.
Wim Burmeister
Dear Alex,
Of course a simplified one page summary would not be the last word, but I
think that it would be a big step in the right direction. For example a
value of Rfree that is 'too good' because the reflection set for it has
been chosen wrongly can be detected statistically (Tickle et al.,
Unless there is pseudo-symmetry, I would say that the self-rotation
indicates that crystal point group is 422... Did the indexing program
suggested something with this symmetry?
Cheers,
Miguel
2007/8/20, Wim Burmeister <[EMAIL PROTECTED]>:
>
> Yanming Zhang a écrit :
> > Hi,
> >
> > Would some e
Yanming Zhang a écrit :
Hi,
Would some experts help me to interpretate the attached self rotation
function ps graph? The cell: 84.847 84.847 172.485 P4 indexing. In
perticular, I was puzzled by:
1,Does the peak (90 45 180) a crystallographic 2-fold or
non-crystallographic 2-fold?
2,Why ther
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