Hi Almudena,

even if you enable water update (add/remove/refine) phenix.refine will only do it if data resolution is higher than 2.8A. In case your data resolution is lower than 2.8A and you still want phenix.refine update water you need to set ordered_solvent.low_resolution to some large value like 3 or so.

In the GUI, ordered_solvent.low_resolution can be set as:

Refinement settings -> All parameters -> Ordered solvent -> Minimum resolution

If it still does not add water than perhaps data or current model quality isn't sufficient to do so automatically.

Pavel

On 4/2/15 2:05 AM, Almudena Ponce Salvatierra wrote:

Dear all,

I am using Phenix.refine after MR and I have a complete model and data to 2.8 Angstrom resolution. However, for some reason, Phenix does not place any water molecules. Is there a setting I could change in order to see whether this situation changes? What could the reason be?

Thanks a lot in advance.

Best,

Almudena

--

Almudena Ponce-Salvatierra
Macromolecular crystallography and Nucleic acid chemistry

Max Planck Institute for Biophysical Chemistry

Am Fassberg 11 37077 Göttingen

Germany
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