Hello everyone,
I used CHOOCH program to find f' and f value for bromide. My input file was
modified that the 1st column is the energy and 2nd column is X-ray flux.
Could you tell me the problem when I got the following information:
Spectrum over br K edge at theoretical energy of 13474.00 eV
Dear List,
I'd like to thank all of you who answered my question.
All answers except one give suggestions on how to check-improve on the
diffraction of the crystals I already have, which is something I didn't hope
for.
You can find a summary below.
Thanks again for your precious help,
Hi all,
We have been trying to solve a structure of protein-protein complexes using
3.1A data (one of the proteins is of 120kDa whereas the other is of 20kDa).
The structure of smaller protein is known (individually-100% sequence
identity) whereas the bigger protein does not share more than 10%
Hi Joe,
I think you are wasting your time pursueing molrep.
Go for some experimental phases. Try a bromide soak or xenon
derivatisation. Provided your molrep solution is correct,
you don't need a lot of extra phase information.
Cheers, Manfred.
Dear Colleagues,
May I suggest that, at this point, we all need a clarification
of the licensing for the libraries in CCP4 (as distinct from
the licensing for the programs). The community as a whole would
benefit from an unambiguous release of the current libraries (as
opposed to the next to
Dear all
Recently I collected a dataset, which is rhombohedral on indexing screen of
HKL2000.
I processed the dataset as R3 and R32 at synchrotron.
But I realized it can be H3 or H32. Is it correct?
Cell dimensions are a=b c and alpha=90, beta=90, and gamma=120.
For me, synchrotron is only
Hello,
We are trying to refine a structure using REFMAC and we are facing problem in
refining the double conformations of a cysteine residue. One conformation is
involved in formation of a disulfide linkage and other conformation is free. Is
there any way to define the restraints so that both
The SSBOND record does not allow the specification of
an alternate location indicator. The PDB practice is to
list the SSBOND record if any confirmation is in an SS-bond.
I think that refmac has problems with this since it will
try to apply the SSBOND patch to both confirmations. The
It seems odd from energetic considerations that there would be a
free-form amino acid when it has a choice to be involved in
energetically favorable interaction. It sounds doubly odd in the case of
a cystein involved in a disulfide bond.
Could it be that you are observing the effects of radiation
Dear Kang,
In addition to theoretical considerations, you may want to have a look
at Pointless:
http://www.ccp4.ac.uk/prerelease_page.php#pointless
Just integrate data with Mosflm and run Pointless before Scala (you may
also want to integrate data in P1).
If you want to try to import unmerged
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
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
Hi xds-experts,
I am struggling to get xds running for Rigaku's Saturn94 detector with
2theta offset.
Without 2theta offset, the Saturn92 input file from the xds webpage
works just fine with the following modifications:
NX=2084 NY=2084 QX=0.0451 QY=0.0451 ! modified by JA
ORGX= 1024 ORGY=
I am not an expert in XDS but will still put my $0.02 in:
Your new ORGX seems to be a reflection of the 2theta. In some other programs,
origin is always defined at 2theta=0 and the angular (or linear, to that
matter) offset is given as a parameter. I.e. software applies 2theta offset
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