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A modified Crowther and Blow T1 translation function for partial search models.
1Biology Department, Brookhaven National Laboratory, Upton, NY 11973-5000, USA.
Acta Crystallographica. Section D, Biological Crystallography
|September 1, 1995
Summary
A modified translation function reduces errors in crystal structure determination when using partial models. Origin removal or partial self-vector subtraction (SVS) improves signal-to-noise ratios in search maps.
Area of Science:
- Crystallography
- Structural Biology
- Computational Chemistry
Background:
- Determining crystal structures using partial models can introduce systematic errors.
- Existing methods like Crowther & Blow's fast T(1) translation function have limitations.
Purpose of the Study:
- To introduce a simple modification to the fast T(1) translation function.
- To reduce systematic errors in crystallographic structure determination when using partial search models.
Main Methods:
- Modified the fast T(1) translation function.
- Applied partial self-vector subtraction (SVS) to the Patterson function.
- Implemented residual Patterson origin removal.
Main Results:
- The modified function successfully reduced systematic errors.
- Origin removal alone or combined with partial SVS yielded the highest signal-to-noise ratios.
- Tested on a protein/DNA complex using a protein-only model.
Conclusions:
- Origin removal is a generally useful alternative to SVS.
- The modified translation function enhances accuracy in structure determination with partial models.