From: Klaus Futterer [mailto:[EMAIL PROTECTED]
Sent: Friday, September 21, 2007 5:06 AM
To: Soisson, Stephen Michael
Cc: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] How to calculate the contacts between the dimer-dimer
interface
BTW: I'm wondering about the 4A cut-off. Do distances great
If you just want the residues involved in the interface, you can use the
byres selection commands in Pymol.
select contacts, (byres monA and (monB around 4))
which will show all the residues on monA that are within 4 Ang. of Mon
B.
Steve
-Original Message-
From: CCP4 bulletin board [
oopss...Not science:
Proteins: Structure, Function, and Genetics
Volume 16, Issue 3 , Pages 301 - 305 (1993)
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Soisson, Stephen Michael
Sent: Friday, August 24, 2007 10:59 AM
To: CCP4BB@JISCMAIL.AC.UK
Jeremy Berg, Rubredoxin. In Science around 1995.
Steve
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Bernhard Rupp
Sent: Friday, August 24, 2007 10:57 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] centrosymm structure
Dear All,
there was a paper (
>If you want to combine though, I use the molrep phases to get all
>heavy atoms
>in an anomalous fourier map, then go to SHARP with these sites and
>use the 'External phases' option
>in the SHARP gui. Works well for me.
This has worked well for me too...I highly recommend SHARP.
Good luck-
S
sharpening
effect (Cell 119(3):393-405). Others had done this before (David
Borhani comes to mind)anyway, it can be very, very useful.
Steve
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Soisson, Stephen Michael
Sent: Wednesday, June 13, 2007 1
Eleanor was kind enough to modify truncate years ago for me to do this -
I would guess the feature is still there.
Thanks again Eleanor!
Steve
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Jeff Lee
Sent: Wednesday, June 13, 2007 1:19 PM
To: CCP4BB@J
SuSE is a Mandrake derivative, so that is your best bet. It is likely that the
Rehat RPM will work too. Make sure that the library goes to the right place
after you install it (especially if you go Redhat) - you may have to put a
symbolic link where the program in question is looking for this..
>We have a specific case with a 24 kDa protein crystallizing in P6522
>with resolution of 2.5 - 3 A, which should be comparable to most
>cases. The ligands have 10 - 20 non-hydrogen atoms (most of the time
>we don't know, we are actually screening for them). How far should
>we refine to see if
Having done this a few hundred times, I would strongly suggest that you
just collect the data and solve the structure. Since you already have
the apo structure solved, then it really isn't that much work to do an
MR solution on the complex. Be aware that quite frequently there is
enough non-isomo
Regarding David Sayre, Ed Lattman once opined in a Sayre's Equation
lecture to graduate students that if only David Sayre would focus his
attention on macromolecular crystallography again, that perhaps the
phase problem would be solved.
Lofty praise indeed.
Thanks for the anecdote Bob.
Steve
I am guessing it is a difference in normalization, but I would love to hear a
definitive answer from someone.
Steve
-Original Message-
From: CCP4 bulletin board on behalf of mac minista
Sent: Wed 2/14/2007 10:59 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] electron density maps in Coo
Daniel,
Try giving non-zero values for the ISOERROR.
If that doesn't work, post your Se site coordinates, space group and
unit cell parameters.
This may also be a special case with P1, in that the origin can be
anywhere. Try fixing one of your atoms to a specific coordinate (don't
refine it
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