Figure 3
Frequency distribution of refined over estimated VRMS ratios from the curated data set as a function of SCOP class. A red line represents all cases. An ideal distribution should be Gaussian, with the lowest possible variance, and centred on 1 (represented by a black dashed line). X-ray case: the Oeffner estimate has a shoulder, which is not present in the new X-ray estimate. NMR case: the distribution for the Oeffner estimate based on X-ray data is shifted to the right, indicating that errors are systematically underestimated when applied to models derived by NMR. The new estimate based on NMR data has a symmetrical distribution centred around 1. |