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. 2020 Aug 8;10(9):1821–1832. doi: 10.1002/2211-5463.12935

Table 2.

Refinement statistics for OXA‐10 and OXA‐655. Values for the outer shell are given in parentheses.

OXA‐10_IPM OXA‐10_ETP OXA‐655_MEM
PDB entry 6SKP 6SKR 6SKQ
Resolution range (Å) 45.0–1.89 (1.96–1.89) 25.0–1.85 (1.92–1.85) 25.0–2.10 (2.18–2.10)
No. of reflections, working set 46 466 (4265) 50 073 (4900) 61 782 (6070)
No. of reflections, test set 2099 (192) 2482 (263) 2426 (233)
Final R cryst 0.2188 (0.3228) 0.1757 (0.3031) 0.1770 (0.2390)
Final R free 0.2511 (0.3458) 0.2253 (0.3309) 0.2319 (0.2875)
No. of protein chains/Tot. no of residues 2/491 2/490 4/980
R.m.s.d
Bonds (Å) 0.013 0.010 0.003
Angles (°) 1.21 1.09 0.59
Average B factors (Å2) 39.02 36.68 21.34
Protein 39.0 36.0 20.44
Chain A/B/C/D 33.2/43.5 25.6/46.3 19.4/20.2/21.3/19.9
Solvent 46.3 40.7 28.67
Ramachandran plot
Favoured/Allowed/outliers (%) 96.5/3.3/0.2 96.9/3.1/0.0 96.5/3.2/0.3
Clashscore 8.09 7.44 3.10