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With error-free diffraction data from the protein cytochrome c550 from Paracoccus denitrificans, having molecular weight Mr ≃ 14 500, space group P212121, and a single PtCl2-4 derivative, estimates (0 or π) of the three-phase structure invariants are obtained by recently secured direct methods employing the six-magnitude first neighborhood [Hauptman (1982). Acta Cryst. A38, 289-294] and compared with the known values. The comparison shows that these methods are capable of estimating reliably several tens of thousands of those invariants having the extreme values 0 or π, approximately. It is therefore anticipated that direct methods will play an increasingly important role in the determination of macromolecular structures.
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