[buster-discuss] Buster can't get cell from mtz?

Sabine Schneider sabine.schneider at cup.uni-muenchen.de
Wed Feb 18 09:32:23 CET 2015

Hello everyone,

I am trying to run buster but I get the following error:

refine -p ../building/model.pdb -m ../data.mtz -d refine.1

ERROR : [refine-0022] a check of the input MTZ file
          gave an error - even after we tried to fix it. For
          details see above and refine.1/mtzchk.2.log. If you
          don't want to do these checks (and want to use the
          MTZ file as it is): please use the command-line
          option UseMtzchk="no". You'd be doing this at your
          own risk and don't recommend this!

refine -p ../building/model.pdb -m ../data.mtz -d refine.1 UseMtzchk="no"

ERROR : [refine-0024] unable to get cell from MTZ file

The data were processed with xds and than converted to mtz  and test 
reflections generated with xdsconv. I than also went from xds -> 
pointless -> aimless to mtz, with the same buster-errors.

Colums are: FP, SIGFP, FreeRflag (xdsconv) or FreeR_flag, F_3.3, 
SIGF_3.3, DANO_3.3, SIGDANO_3.3,  F_3.3(+),  SIGF_3.3(+), 
F_3.3(-),SIGF_3.3(-) ISYM_3.3, IMEAN_3.3, SIGIMEAN_3.3,  I_3.3(+), 
SIGI_3.3(+), I_3.3(-), SIGI_3.3(-) (aimless)

  * Dataset ID, project/crystal/dataset names, cell dimensions, wavelength:
         1 unknown
                 69.4650  124.6470  153.8770   90.0000   90.0000 90.0000

Phenix, Refmac etc are happy with the file.

Anyone an idea what's wrong?

Thanks a lot!


Dr. Sabine Schneider
Junior Research Group Leader
Technische Universität Munich
Department of Chemistry
Chair of Biochemistry
Lichtenbergstr. 4
85748 Garching
Tel.: +49 (0) 89 289 13336
Fax: +49 (0) 89 289 13363

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