Sentence examples for twin operator from inspiring English sources

The twinning was accounted for in the refinement performed with SHELXL with twin operator h, l, −k.

A pseudomerohedral twin operator (h, − k, − l) was found and used to automatically account for the twinning during subsequent refinement.

Analyses of the diffraction data of the complex of RBP SH3-II and Cac revealed one pseudo-merohedral twin operator (h, −k, −h − l), that was later included in the refinement protocol.

Although all three crystals were crystallized in the same conditions, neoPTE crystallized in a different space group with different unit cell dimensions (p65, with a h, −h−k, l merohedral twin operator, vs C2221).

Refinement was improved by including the twin operator (0.713 for h, k, l and 0.287 for − h, − k, l) and by using eight TLS elements representing the catalytic domains, residues 1 154 and 294 347, and the coenzyme binding domain, residues 155 293, for each of the four subunits.

Subsequent refinement in REFMAC[33] employing a merohedral twin model for space group R3 with twin operators (H K L) and (K H L) immediately reduced R/Rfree below 30%, revealing a minor twin fraction of 5.9%.

In addition, the twinning operator (k,-h,l) was equivalent to one of the symmetry operators within I4.

In addition, most of the crystals were twinned with the twinning operator (k,-h,l) equivalent to one of the symmetry operators within I4.

Several attempts to derive experimental ab initio phases from the Se-Met and heavy atom derivatives of ParC were unsuccessful most likely due to the high complexity of the problem, i.e. high values of the twinning fraction and the twinning operator being close to the NCS operator.

To gain insight into the mechanism of S. pneumoniae topo IV and its interaction with DNA and quinolones, the structure of the ParC55 fragment has been solved (Figure 2A) and the model was refined to R = 22.30% (R-free = 27.55%) at 2.7 Å resolution using wild-type ParC55 data (twinning fraction = 0.323, twinning operator = (k,-h,l)).

The model was built in Coot and refined in PHENIX refine, with incorporation of the twinning operator (−h, k,−l) with a twinning fraction of 49.7%.