An improved method for calculating the contribution of solvent to the X-ray diffraction pattern of biological molecules

Fraser, R.D.B.; MacRae, T.P.; Suzuki, E.

doi:10.1107/S0021889878014296

An improved method for calculating the contribution of solvent to the X-ray diffraction pattern of biological molecules

R. D. B. Fraser, T. P. MacRae and E. Suzuki

Solvent makes a significant contribution to the diffracted intensity of crystals and fibres of large biological molecules. Allowance for this contribution must be made in the refinement of trial structures and an improved method is described for the calculation of solvent scattering.

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An improved method for calculating the contribution of solvent to the X-ray diffraction pattern of biological molecules

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