Challenges of sulfur SAD phasing as a routine method in macromolecular crystallography

Doutch, J.; Hough, M.A.; Hasnain, S.S.; Strange, R.W.

doi:10.1107/S0909049511049004

Figure 2
Electron density maps from AcNiR S-SAD experiments at Diamond using [lambda]

= 2.4 Å. (a) The initial 2.69 Å resolution map contoured at 1.4 [sigma]

(1.01 electrons Å^-3), calculated from SHELXE without density modification; (b) the map calculated from the experimental phases combined with `native' amplitudes to 1.3 Å resolution, with density modification contoured at 1.4 [sigma]

(0.92 electrons Å^-3); (c) the final electron density map is shown after automated model building using ARP/wARP, contoured at 1.4 [sigma]

(0.75 electrons Å^-3); (d) the map in (c) and the structural model built by ARP/wARP are shown together.