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. Author manuscript; available in PMC: 2023 Aug 16.
Published in final edited form as: J Am Chem Soc. 2023 Jun 20;145(26):14404–14416. doi: 10.1021/jacs.3c03608

Table 3.

Data Collection and Refinement Statistics for N. europaea Arg44Ala cyt P460

Wavelength (Å) 0.979
Temperature (K) 80
Space Group P 31 2 1
a (Å) 53.111
b (Å) 53.111
c (Å) 125.894
α(deg) 90
β(deg) 90
γ(deg) 120
No. of reflections 606675 (60977)
No. of reflections in the Rwork set 30604 (2999)
No. of reflections in the Rfree set 1454 (150)
Resolution (Å) 43.2 – 1.55 (1.605 – 1.55)
Rmerge (%) 0.05202 (1.518)
Rmeas (%) 0.05344 (1.557)
CC1/2 1 (0.916)
Completeness (%) 1.00 (1.00)
Redundancy 19.8 (20.2)
I/σ(I) 32.17 (2.11)
Rwork 0.1635 (0.2603)
Rfree 0.1968 (0.3169)
Root-mean-square deviation from ideality
 Bonds (Å) 0.009
 Angles (deg) 0.98
 Average B factor (Å2) 34.37
Ramachandran plot
 Favored Regions (%) 97
 Allowed regions (%) 2.6
 Disallowed regions (%) 0
PDBID 8GAR