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. 2016 Feb 1;11(2):e0147550. doi: 10.1371/journal.pone.0147550

Table 1. Structure determination and refinement.

Data collection
Wavelength 0.979
Space group P 1 21 1
Unit cell parameters
 a,b,c (Å) 94.9 45.9 110.6
 α,β,γ (°) 90.0 93.1 90.0
Resolution (Å) 47.38–2.49 (2.59–2.49)
Total reflections 106496 (10254)
Unique reflections 32942 (3558)
Rpim 3.6 (34.5)
Completeness (%) 97.4 (95.5)
I/σI 16.3 (2.2)
Redundancy 3.2 (2.9)
Wilson B factor 47.3
CC 1/2 0.99 (77.8)
Refinement
Resolution (Å) 47.38–2.49 (2.56–2.49)
Rwork/Rfree (%) 24.30 / 30.40
No. of atoms 6175
 Protein 6105
 Water 70
Average B-factors 72.7
 Protein 72.8
 Water 58.2
RMS deviations from ideality
 Bond lengths (Å) 0.002
 Bond angles (°) 0.629
Ramachandran statistics
 Favoured (%) 96.01
 Disallowed (%) 0
MolProbity overall score 1.17

Values in parentheses correspond to the highest shell.