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. 2022 Jun 27;298(8):102204. doi: 10.1016/j.jbc.2022.102204

Table 1.

Data collection and refinement statistics for TcAPx-CcP (PDB code 7OPT) and W233F (7OQR)

Data collection TcAPx-CcP W233F
Resolution (Å) 62.02–2.02 (2.07–2.02) 29.28–1.76 (1.80–1.76)
Total measured reflections 987,780 1,516,631
Unique reflections 50,314 (3670) 76,005 (4170)
Completeness (%) 99.7 (99.1) 99.8 (97.3)
Redundancy 19.6 (20.5) 20 (19.6)
I/σ (I) 19.0 (2.4) 22.5 (4.1)
Unit cell dimensions (Å) a = 71.6 b = 71.6 and c = 253.3 71.6, 71.6, 254.6
Space group P3121 P3121
Rmerge 0.08 (1.4) 0.08 (0.74)
Refinement
Rwork/Rfree 0.16/0.23 0.12/0.16
r.m.s.d. bond (Å)/angle (°) 0.01/1.8 0.01/1.9
B-factor analysis (Å2)
Protein 49 27
Water 50 36
Ramachandran analysis
Most favored (%) 94.94 97.58
Allowed (%) 5.06 2.05
Outliers Disallowed (%) 0.0 0.37

Values in parenthesis are for high resolution shells.