Figure 3.
Structural parameters of ensembles of Ta1a structures using different refinement methods. The left panel shows the published structure, the middle and right panels show the refinement of the structure based on additional data acquired here, either excluding the RDC data (middle) or including the RDC data (right). Below the structure the structural parameters are summarized. The quality factor (Q) was calculated using the RDC data in the two different alignment media (Pf1-phage [pf1] and PEG-hexanol liquid crystals [P-H]). The data show that improvement in Q factor when including RDCs is consistent with a crystallographic resolution where sidechains can be resolved. *The quality factor for the RDC refined structure was determined using a procedure where RDCs used in the refinement are excluded when deriving the Q factor (Qfree).