Abstract A new method of combining one-wavelength anomalous scattering (OAS) phasing and density modification has been described, in which the improved phases from density modification are re-introduced into OAS phasing. In this way, the phases could be improved iteratively until convergence. The OAS phasing method is based on the previously established sign-probability formula, which breaks the phase ambiguity in the OAS phasing. The implementation of this method has been available in CCP4 as OASIS. This method, although based on direct-methods, could also incorporate known phases and figures of merit into its sign-probability formula. In the implementation of OASIS, the known phases are from the positions of the anomalous scatters. In the current method, the known phases are from the density modification. The current method was tested on phasing a lysozyme crystal using anomalous scattering of sulphur atoms with diffraction data collected on an in-house x-ray source. The resulting map was well connected for the backbone atoms and clearly traceable, with an average map correlation coefficient of 0.6622 for the backbone atoms.
Received: 24 March 2003
Revised: 29 November 2002
Accepted manuscript online:
(Electron, neutron and x-ray diffraction and scattering)
Fund: Project supported by the National Natural Science Foundation of China (Grant No 30171098).
Cite this article:
Jiang Fan (江凡), Gu Yuan-Xin (古元新), Zheng Chao-De (郑朝德), Fan Hai-Fu (范海福) Phasing of lysozyme using one-wavelength anomalous scattering of sulphur atoms through the combination of direct methods and density modification 2003 Chinese Physics 12 890
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