I assume the native and Se-met are isomorphous and indexed on the same
convention?
pOINTLESS will check the indexing convention for you.
Then you must use cad to merge the native and the phased data.
I am not sure of PHENIX output but you need an mtz file with
h k l Fnat etc F-Semet ... PHI FOM HLA etc
Then you just use parrot or DM to improve and extend the phases to the
limit of the native data.
In my experience it usually works brilliantly..
Eleanor
(reflection utilities) Jürgen Bosch wrote:
DM ? Can you use NCS ?
Jürgen
On Mar 7, 2010, at 6:43 PM, Stuart Endo-Streeter wrote:
Fellow crystallographers,
I am helping a college with a structure and we've run into a bit of a
jam. She has a 2.5 ang sel-met dataset, solved, and a 1.8 ang native
dataset. We would like to extend the phase solution from the anomalous
data to the native data. Unfortunately I have not been able to figure
out how to do this using CCP4. The phase solution was calculated using
PHENIX, which I have no real experience with yet, having worked with
SHELX, CNS, and CCP4 in the past. Can anyone point out the programs, if
any, in CCP4 (v6.1.3) to extend the phases from the 2.5 anomalous to the
1.8 native data?
Thanks,
Stuart Endo-Streeter
-
Jürgen Bosch
Johns Hopkins Bloomberg School of Public Health
Department of Biochemistry & Molecular Biology
Johns Hopkins Malaria Research Institute
615 North Wolfe Street, W8708
Baltimore, MD 21205
Phone: +1-410-614-4742
Lab: +1-410-614-4894
Fax: +1-410-955-3655
http://web.mac.com/bosch_lab/
