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Figure 6
(a) Determination of qthreshold (see text for details) for reliable coarse-grained calculation of protein X-ray scattering for hen egg-white lysozyme (PDB code 6lyz) and carbonmonoxy hemoglobin (PDB code 2hhb). The cofactors were removed before evaluating the scattering. (b) For each structure of the protein structure library, the maximum q value with an error lower than 0.2% [according to equation (12[link])] was determined. The histogram illustrates the distribution of these qthreshold values for both coarse-grained methods (amino acid and MARTINI).

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 47| Part 4| August 2014| Pages 1190-1198
https://doi.org/10.1107/S1600576714009959
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