Talk:Resolution: Difference between revisions

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Proposed revision (May, 2014) after discussion with Keiichi Namba. Comments welcome!
Proposed revision for the portion of this article before the ''Contents'', after discussion with Keiichi Namba. Comments welcome!


The resolution of a macromolecular crystal is the smallest distance between crystal lattice planes that is resolved in the diffraction pattern. Thus high numeric values of resolution, such as 4 Å, mean poor resolution, while low numeric values, such as 1.5 Å, mean good resolution.
The resolution of a macromolecular crystal is the smallest distance between crystal lattice planes that is resolved in the diffraction pattern. Thus high numeric values of resolution, such as 4 Å, mean poor resolution, while low numeric values, such as 1.5 Å, mean good resolution.


The most-ordered portion of the macromolecule is responsible for diffraction spots that are farthest from the axis of the X-ray beam. Resolution is determined from these farthest spots based on their angle  θ from the X-ray beam, using [http://en.wikipedia.org/wiki/Bragg's_law the Bragg equation]:
 
The portion of the macromolecule that is best ordered in the crystal is responsible for diffraction spots that are farthest from the axis of the X-ray beam. Resolution is determined from these farthest spots based on their angle  θ from the X-ray beam, using [http://en.wikipedia.org/wiki/Bragg's_law the Bragg equation]:
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d = &lambda; / (2 sin &theta;)
d = &lambda; / (2 sin &theta;)
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If some portions of the macromolecule are less ordered in the crystal than others, these will have a poorer resolution. The &quot;resolution of the crystal&quot; represents the most ordered portions.
If some portions of the macromolecule are less ordered in the crystal than others, these will have a poorer resolution. The &quot;resolution of the crystal&quot; represents the most ordered portions.


After an [[electron density map]] is calculated and refined with a fitted atomic model, an uncertainty of atomic position is calculated for each atom in the model. These single-atom uncertainties are called the B factors or temperatures of the atoms (see [[Temperature]]).
After an [[electron density map]] is calculated and refined with a fitted atomic model, an uncertainty of atomic position is calculated for each atom in the model. These single-atom uncertainties are called the B factors or temperature values of the atoms (see [[Temperature]]).