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. 2022 Oct 27;78(Pt 11):1303–1314. doi: 10.1107/S2059798322010026

Table 1. Comparison of model statistics for the original and recapitulated PDB entry 3now .

Note that the new model was built with a different set of free reflections, so the R factors are not directly comparable.

  Original Revised
Resolution range 49.2–2.99 (49.2–6.44) 49.2–2.99 (49.2–7.03)
Reflections used in refinement 39320 (3335) 39335 (2509)
Reflections used for R free 1865 (153) 1883 (110)
R work 0.1923 (0.2901) 0.1967 (0.2943)
R free 0.2256 (0.3351) 0.2151 (0.3239)
No. of non-H atoms 6077 6094
Protein residues 786 787
R.m.s.d., bond lengths (Å) 0.013 0.007
R.m.s.d., angles (°) 1.42 0.94
Ramachandran favoured (%) 91.58 97.83
Ramachandran allowed (%) 7.53 2.17
Ramachandran outliers (%) 0.89 0.00
Ramachandran Z-score −4.62 −1.38
Rotamer outliers (%) 4.84 0.30
Clashscore 18.44 0.16