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. 2021 Mar 17;7(12):eabf1380. doi: 10.1126/sciadv.abf1380

Table 1. Data collection and refinement statistics.

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

FAcD-SSX FAcD-SFX MB-SSX MB-SFX
Accession code 7A42 7A43 7A44 7A45
Resolution range 33.08–1.75 (1.813–1.75) 33.08–1.75 (1.813–1.75) 31.47–1.75 (1.813–1.75) 31.47–1.75 (1.813–1.75)
Space group P21 P21 P212121 P212121
Unit cell 41.9 79.9 84.8 90 103.4 90 41.9 79.9 84.8 90 103.4 90 37.9 47.9 83.5 90 90 90 37.9 47.9 83.5 90 90 90
Unique reflections 54827 (5456) 54828 (5457) 15863 (1492) 15891 (1520)
Multiplicity 139.52 (74.0) 101.92 (66.0) 114.79 (65.4) 134.40 (76.2)
Completeness (%) 100.00 (100.00) 100.00 (100.00) 99.53 (95.08) 99.72 (97.19)
SNR 4.18 (1.19) 3.88 (2.06) 5.54 (1.62) 5.65 (1.61)
Wilson B factor 18.73 13.83 22.21 24.83
Rsplit (%) 19.08 (85.41) 21.70 (48.78) 14.27 (77.14) 13.78 (74.6)
CC1/2 (%) 95.34 (52.52) 93.10 (72.32) 97.33 (50.03) 97.35 (40.54)
Reflections used in
refinement
54827 (4396) 54828 (4873) 15866 (1231) 15332 (1280)
Reflections used for Rfree 1852 (151) 1838 (172) 1522 (125) 1529 (127)
Rwork (%) 15.70 (28.89) 16.70 (23.32) 17.30 (27.70) 16.83 (25.51)
Rfree (%) 19.29 (30.64) 19.95 (26.05) 20.99 (32.08) 20.85 (30.25)
Number of non-hydrogen
atoms
5093 5051 1371 1384
Macromolecules 4791 4743 1247 1248
Ligands 2 2 50 50
Solvent 300 306 74 86
Protein residues 595 595 154 154
RMS (bonds) 0.009 0.012 0.016 0.016
RMS (angles) 1.08 1.25 1.32 1.34
Ramachandran favored (%) 97.80 97.97 98.03 98.03
Ramachandran allowed (%) 2.20 2.03 1.97 1.97
Ramachandran outliers (%) 0.00 0.00 0.00 0.00
Rotamer outliers (%) 0.41 0.63 1.55 1.54
Clashscore 3.92 3.01 4.59 4.21
Average B factor 22.87 16.53 26.50 28.98
Macromolecules 22.28 15.87 25.97 28.32
Ligands 35.54 28.12 24.17 25.87
Solvent 32.22 26.72 37.11 40.36