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Figure 6
Residue-wise comparisons between the simulated structure factors and the crystal structure. The real-space correlation coefficient (purple line) is computed using the crystal structure and the simulated Bragg reflections. The isotropic B factors (blue line) are taken from the crystal structure. The r.m.s.d. of heavy-atom atomic coordinates (yellow line) is computed between the average structure from the simulation and the crystal structure.

IUCrJ
Volume 5| Part 2| March 2018| Pages 172-181
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518000519