This is a little strange - the GUI should not be allowing you to select an array that won't work for refinement. Could you please send me (off-list!) both MTZ files that you tried using? (I don't think I need data or anything else for this.) thanks, Nat On Mon, May 12, 2014 at 5:49 AM, Jonathan Grimes wrote:

i have now used phenix to read in the mtz file, read all the arrays and make a new mtz file.

phenix recognised the HLs as Hend/latt coeffs.

i used the eff file to run phenix.refine at the command line and got this error

Not a suitable array of experimental phases: refinement.input.experimental_phases.labels=HLA,HLB,HLC,HL

The phases were orginally derived by Phenix using the auto solve GUI.

Jon

Dr. Jonathan M. Grimes, NDM Senior Reseach Fellow Diamond Research Fellow University Research Lecturer Diamond Light Source Division of Structural Biology Diamond House Wellcome Trust Centre for Human Genetics Harwell Science Campus University of Oxford Didcot Roosevelt Drive, OX11 0DE Oxford OX3 7BN, UK

Email: [email protected], Web: www.strubi.ox.ac.uk Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547

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Date: Mon, 12 May 2014 11:32:39 +0100 From: [email protected] (on behalf of Jonathan Grimes < [email protected]>) Subject: [phenixbb] HLs not recognised To: [email protected]

I am trying to refine a structure at low resolution and would like to use phase restraints. using the GUI even though HLs are present in the MTZ file, and are type “A”…checked with CAD…..i am not given the option of selecting them.

not clear to me what I’m doing wrong.

hints most wellcome thanks jon

Dr. Jonathan M. Grimes, NDM Senior Reseach Fellow University Research Lecturer DIAMOND Research Fellow

Division of Structural Biology Wellcome Trust Centre for Human Genetics University of Oxford Roosevelt Drive, Oxford OX3 7BN, UK

Email: [email protected], Web: www.strubi.ox.ac.uk Tel: (+44) - 1865 - 287561, FAX: (+44) - 1865 - 287547

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