A method of determining the arrangement of atoms within a crystal, in which a beam of X-rays strikes a crystal and causes the beam of light to spread into many specific directions.

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Determining the appropriate bioconjugate

I'm thinking of crosslinking two proteins. The crystallographic nature of the interaction and the binding motif for each molecule is know. The paper says the intermolecular contacts (over 50; van der ...
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1answer
106 views

Getting xyz co-ordinates from a .map file (CCP4 format) in VMD

I have a .map file which contains x-ray crystallography data of a bacteriophage. The format of the file is CCP4. I can open the file using VMD. However, I am unable to get the xyz co-ordinates. It ...
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1answer
50 views

Are original x-ray diffraction data available

Is it customary for investigators to publish the original x-ray diffraction data used in macromolecular structural determination? If not, why not; and if so, is there an online database where these ...
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1answer
166 views

Why are transmembrane proteins difficult to crystallise?

I know that in vivo there are a lot fewer transmembranous proteins in general, and that they are produced at a lower rate than their free counterparts. This is mainly because transmembrane proteins ...
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3answers
564 views

What are the benefits of elucidating the crystal structure of a protein?

I have spent months as a student working on trying to form a tricky protein crystal. But I have never actual had explained to me why the structure will be useful. Once elucidated, what can we ...
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1answer
277 views

In the diffraction pattern of a protein crystal what exactly determines the intensities of the spots?

What I have read is that the contents of the unit cell affect the intensities, but how? I am also unclear on why you need to know the symmetry of the unit cell, what is that used for? I understand ...
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0answers
135 views

RMSD during conformational transition in proteins

When I was investigating the differences between protein structures obtained by X-ray crystallography and NMR spectroscopy, I found the paper [1] compairing structures of several proteins resolved ...
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3answers
446 views

Can protein structure be determined by X-Ray Diffraction in a single image?

I'm reading about the use of x-ray crystallography to determine protein structure. According to my book, data is collected at 30-360 angles (dependent on the symmetry of the protein). An illustration ...
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1k views

How does one calculate the resolution of a crystal structure?

Considering that I have a diffraction pattern of a crystal, how would I calculate the resolution of a structure in Angstroms? How does that value differ from the information that I would get from the ...