Exploiting fourth-generation synchrotron radiation for enzyme and photoreceptor characterization

Malla, T.N.; Muniyappan, S.; Menendez, D.; Ogukwe, F.; Dale, A.N.; Clayton, J.D.; Weatherall, D.D.; Karki, P.; Dangi, S.; Mandella, V.; Pacheco, A.A.; Stojković, E.A.; Rose, S.L.; Orlans, J.; Basu, S.; de Sanctis, D.; Schmidt, M.

doi:10.1107/S2052252524010868

Figure 2
Structure of PYP. (a) The structure of PYP (blue) in space group P6₅ determined by fixed-target SSX compared with that in space group P6₃ (yellow) determined at the LCLS by SFX (PDB entry 4wla, reference structure). The pCA chromophore pocket is marked by the red box. Various residues are shown. The locations of four of the five distance peaks marked in (b) are denoted with green circles together with the representative residues. The pale red circle denotes peak 4 in (b) where there are no structural differences. (b) Distances between equivalent C^α positions in the superposed PYP structures. The average deviation is 0.27 Å. Peaks refer to specific locations marked in (a). There are no significant structural changes for peak 4, but this peak is very pronounced in the low-temperature comparison from van Aalten et al. (2000