Water in macromolecular models: Difference between revisions
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In [[PDB file|PDB files]] resulting from X-ray crystallography that do specify water positions, typically only 10-20% of the water that was actually present in the crystal is shown. Protein crystals used for X-ray diffraction are about half water, but the majority of the water present is [[Temperature value|disordered]] and cannot be resolved. Only tightly bound, stationary water molecules can be experimentally resolved in the electron density map. Similarly, in PDB files resulting from [[NMR]], only tightly bound water can be resolved, and the majority of the water is not represented. | In [[PDB file|PDB files]] resulting from [[X-ray crystallography]] that do specify water positions, typically only 10-20% of the water that was actually present in the crystal is shown. Protein crystals used for X-ray diffraction are about half water, but the majority of the water present is [[Temperature value|disordered]] and cannot be resolved. Only tightly bound, stationary water molecules can be experimentally resolved in the electron density map. Similarly, in [[PDB files]] resulting from [[NMR]], only tightly bound water can be resolved, and the majority of the water is not represented. | ||
