I do not think we are there yet especially when partial occupancies
come into play. Then it is a real mess.
We always collect all available evidence (databases, CSD, PDB
seraches, anomalous, distances, geometry, fluorescence spectrum at
beamline etc.) and then try to make the best guestimate ..
It helps to keep the same water naming convention in all the complexes.
distang is a slow tool but it will list all contacts to a given set of
atomic radii. I use that output a lot to check on interesting contacts..
But in the end it boils down to thoughtful book-keeping..
Eleanor
On
It looks like a rhombehedral data set with small deviations from the
exact H3 symmetry to give the weak spots.
The standard H3 setting has origins at (0,0,0) (1/3, 2/3, 2/3) and
(2/3,1/3,1/3) so to get your translation vector to match the
conventional H3 one, you will have to reindex the P321
Brian,
We use a PlateLoc Thermal Microplate sealer from Agilent. Works very
well, pricey though ...
Cheers,
Carsten
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
Brian Mark
Sent: Tuesday, June 14, 2011 5:19 PM
To:
You might also want to try:
http://www.ncbi.nlm.nih.gov/pubmed?term=12499536
Cheers,
Stephen
On 15 June 2011 02:09, Robbie Joosten robbie_joos...@hotmail.com wrote:
Hi Wolfram,
This was an early study on the subject:
http://www.ncbi.nlm.nih.gov/pubmed/8594192
The software is still
Dear all,
Does anyone have suggestions for 6 Å resolution phasing with large
number (40-50) Se sites (SAD so far)??
Thanks a bunch,
Tommi
Tommi Kajander, Ph.D., Docent
Macromolecular X-ray Crystallography
Research Program in Structural Biology and Biophysics
Institute of Biotechnology
P.O.
Hi Tommi,
Give it a try?
You give very little information, e.g.
- the data quality,
- possible radiation damage,
- isomorphism with a native data set, and
- what you have tried so far.
If you have a native data set with an isomorphous unit cell, try SIRAS instead
of SAD.
Tim
On Wed, Jun
If you have atomic resolution data you could use shelxl to invert
the least-squares matrix and calculate standard uncertainties for all
the bond lengths and angles.
Dale Tronrud
On 06/15/11 07:57, Tian-Min Fu wrote:
Dear friends,
A zinc atom is located in the active center of my
[ Postdoctoral Research Fellow - Genome Damage and Stability Centre, University
of Sussex - Ref 292 ]
An MRC-funded post is available in the laboratory of Professor Laurence Pearl
and Dr Antony Oliver to study the structure and function of the Smc5/6 complex.
This project forms part of a
Based on the dents in my own forehead from banging it on similar brick walls,
it would probably be more efficient to get a heavier atom with fewer binding
sites, and work your way in from there. If your data set really only extends
to 6A, even when you do find all those Se atoms their phasing
Thank you everyone for your replies. The Nayal Di Cera (1996)
paper may be what I had in mind. I was looking for some estimate of
how often water atoms are placed in protein models where they do not
belong, and I expected a relatively high percentage. Simply
extrapolating from the 0.01% water -
While we are on the subject of tools for crystallography, I wanted to
bring to your attention a nice tool that we use at the SGC to assist
in the harvesting of crystals into Rigaku style pucks. The Quick Puck
Loader is available at 1degreebio.org.
http://www.youtube.com/watch?v=5okdJfi3kFI
John
12 matches
Mail list logo
