Hi there,
I assume you processed the data with XDS. If so, you can use xdsconv to
convert the file other formats, including mtz
To analyze (view?) an mtz file you can use mtzdump. MTZ2Various is a
format conversion program, just like xdsconv. You can convert directly
to SCALEPACK format without a USER FORMAT option, and the output from a
.sca file created from an mtz file with MTZ2various looks like this:
1
-987
105.794 62.940 110.050 90.000 105.008 90.000 c 1 2 1
<-- cell parameters and SG info
-73 1 3 5.1 5.1 7.5 4.5 <--- h,k,l, I+, sigI+,
I-, sigI- (bijvoet mates)
-73 1 4 -1.4 6.8 3.4 5.3
What is the software you are using to solve the structure via S-SAD? I
recomment the shelxc/d/e suite that can be easily run via the hkl2map GUI.
Best,
Pedro
Em 10/05/2022 12:51, Rituparna Saha escreveu:
Dear all,
I am trying to solve a protein structure via S SAD phasing. I have the
ASCII.HKL file, but whenever I opened the text file I couldn't
understand which one is the F+ and F- values.
Also, how can I read and analyze an mtz file? I tried using the
MTZ2VARIOUS program in CCP4, where I changed it into USER FORMAT, it
generated a .sca file, and the text file so generated did not have any
labels (headers) inside it. It just gave me a list of values.
Kindly guide me through this since I am really a novice in this field.
--
--
-------------------------
Regards,
Rituparna Saha
Research Scholar
Bioseparation and Structural Biochemistry Lab
Department of Biotechnology, IIT Kharagpur
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