Re: [phenixbb] simulated annealing omit map

Hi Nat, high-resolution data won't help you much and certainly much less than accurate low resolution reflections. "Burning the crystal" also contradicts "as accurately as possible", and what Dale suggests will help much more than high resolution reflections. High resolution reflections get lost first upon radiation damage and for partially occupied ligands, and accurate low resolution reflections are worth much more. Regards, Tim On 11/15/2014 12:28 AM, Nathaniel Echols wrote:

On Fri, Nov 14, 2014 at 2:06 PM, Dale Tronrud wrote:

...

You also asked if burning your crystals could improve the map. If you have more crystals I would recommend soaking them in a higher concentration of ligand. No amount of fancy data collection is going to make the density of a low occupancy compound stronger. Getting the occupancy up will do you worlds of good.

But won't measuring the weak high-resolution reflections as accurately as possible help resolve map details like partial-occupancy atoms? (Although I think it's better to do this by collecting more redundant data than increasing the exposure time.)

-Nat

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