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. 2017 May 18;12(5):e0177540. doi: 10.1371/journal.pone.0177540

Table 1. Information on the data collection and refinement for the determination of the three dimensional structure of Allophycocyanin from Gracilaria chilensis.

Data collection Allophycocyanin
Space Group P321
Cell Dimensions
a, b, c (Å) 97.41, 97.41, 63.83
α, β, γ (°) 90, 90, 120
Resolution range (Å) 42.18–2.3 (2.38–2.30)
Rmerge 0.1303 (0.3568)
I / σI 6.18 (2.16)
Completeness (%) 97 (97)
Redundancy 2.9(2.6)
Refinement
Resolution (Å) 2.3
Nº reflections/Nº reflections used 84722(7757)/29317(2937)
Rwork / Rfree 25.70/28.65
Nº atoms 3035
Protein 2422
Ligand/ion 135
Water 478
B-factors 31.75
Protein 32.01
Ligand 29.65
Water 31.04
r.m.s. deviation
Bond lengths (Å) 0.004
Bond angles (°) 1.56

The values in parenthesis correspond to the last resolution shell.