Figure 3
Experimental phasing. (a) The asymmetric unit of the single-site tantalum bromide-derivative crystal showing the two NCS copies of CSN in cartoon mode in contrasting shades of grey. The tantalum bromide cluster (green sphere) lies on the NCS axis between the CSNs. (b) The same representation as in (a) reoriented for clarity showing the deca-ammonium paratungstate cluster (W12) positions as spheres in blue for W12-I and yellow for W12-II, the two correlated derivatives used for MIRAS phasing. (c) A segment of the MIRAS-phased experimental electron-density map surrounding CSN7 calculated at 9 Å and contoured at 1 r.m.s.; (d) the same segment after solvent flipping with phase extension to 6.6 Å resolution. The red arrows highlight a region improved by density modification. (e) The same view as in (c) and (f) the same view as in (d) with the final CSN model embedded in the electron-density map. |