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Figure 2
(a) Schematic for the DAG resulting from user input and phasertng.xtricorder with a colouring scheme as in Fig. 1[link]. Nodes outlined in orange are those generated by phasertng.xtricorder. Multiple arrows indicate where the DAG may branch. (b) Schematic of DAG for structure solution of PDB entry 4n3e (Sliwiak et al., 2014BB61). The crystal was obtained by co-crystallization of Hyp-1 with an eightfold molar excess of the ligand 8-anilino-1-naphthalene sulfonate (ANS). Strong fluorescence under UV illumination confirmed the presence of ANS in the crystals. Data were collected from a single crystal at a wavelength of 1.00 Å. The data extended to 2.4 Å resolution. There were no systematic absences of reflections along the axes and the highest symmetry in which the data merged was space group P422. Significant anisotropy was present. TNCS of order 7 was suspected as a result of analysis of the Patterson map, with the absence of TNCS maintained as a hypothesis. Twinning was detected in the intensity statistics after TNCS corrections for order 7. Since overmerging is possible in the presence of twinning, data were expanded to all subgroups of P422. Twinning was not detected in the absence of TNCS. At the conclusion of phasertng.xtricorder data analysis there are eight hypotheses for the contents of the asymmetric unit; solutions can be obtained for two of these hypotheses.

Journal logoSTRUCTURAL
ISSN: 2059-7983
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