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. Author manuscript; available in PMC: 2024 Mar 12.
Published in final edited form as: Nat Med. 2023 Feb 23;29(3):700–709. doi: 10.1038/s41591-023-02217-7

Extended Table 7.

Data processing refinement statistics and quality of the FcTHL model.

Protein Characteristics
Wavelength 0.9792
Resolution range 73.46 - 1.89 (1.958 - 1.89)
Space group P 1
Unit cell 75.23 81.46 160.19 95.61 100.45 108.27
Total reflections 500387 (50866)
Unique reflections 263887 (26397)
Multiplicity 1.9 (1.9)
Completeness (%) 94.02 (93.71)
Mean I/sigma(I) 7.10 (0.81)
Wilson B-factor 39.07
R-merge 0.0697 (1.012)
R-meas 0.09856 (1.432)
R-pim 0.0697 (1.012)
CC1/2 0.99 (0.391)
CC* 0.997 (0.75)
Reflections used in refinement 263708 (26331)
Reflections used for R-free 13239 (1334)
R-work 0.1758 (0.3703)
R-free 0.2087 (0.3946)
CC(work) 0.964 (0.695)
CC(free) 0.952 (0.649)
Number of non-hydrogen atoms 25714
macromolecules 24521
ligands 0
solvent 1193
Protein residues 3364
RMS(bonds) 0.013
RMS(angles) 1.18
Ramachandran favored (%) 96.87
Ramachandran allowed (%) 3.07
Ramachandran outliers (%) 0.06
Rotamer outliers (%) 1.00
Clashscore 4.15
Average B-factor 50.50
macromolecules 50.58
solvent 48.76
Number of TLS groups 34

Statistics for the highest-resolution shell are shown in parentheses.