From deep TLS validation to ensembles of atomic models built from elemental motions. II. Analysis of TLS refinement results by explicit interpretation

Afonine, P.V.; Adams, P.D.; Urzhumtsev, A.

doi:10.1107/S2059798318005764

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 7
Distribution of TLS groups in the PDB. (a) Number of TLS groups with R_U values in the given intervals; distributions are shown for the total motions (maroon), for the total motions excluding vibration components (green) and for the individual screw rotations (blue). The histograms are shown when using (9)

(full rectangles) and (11)

(open rectangles). (b) Number of screw rotations as a function of the screw parameter |s|; the histograms are shown when using (9)

(blue rectangles), (10)

(light blue rectangles) and (11)

(open rectangles). R_U values are calculated for all independent screw librations (7)

. (c) Number of TLS groups with different R_U values for the given interval of |s|. The screw parameters were extracted by the procedure using (9)

; R_U values are calculated as in (b). See §

3 for details.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 74| Part 7| July 2018| Pages 621-631

https://doi.org/10.1107/S2059798318005764

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