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. 2013 Jul 29;8(7):e69833. doi: 10.1371/journal.pone.0069833

Table 1. Crystallographic statistics.

Data collection
Space group P43212
a, b, c (Å) 83.00, 83.00, 175.26
Resolution (Å) 29.4–3.04 (3.25–3.04)
Rmerge 0.111 (0.868)a
<I/σ(I)> 15.2 (2.9)
CC1/2 b 0.999 (0.929)
Completeness (%) 99.2 (96.5)
Multiplicity 13.4 (11.7)
Wilson B-factor (Å2) 79.3
Refinement
Resolution (Å) 29.4–3.04
Reflections 12287
Protein atoms 3153
Solvent atoms or molecules 2 Mg2+, 1 Cl, 1 bis-Tris
Rwork 0.246
Rfree 0.298
R.m.s. deviation bonds (Å) 0.003
R.m.s. deviation angles (°) 0.65
Average atomic B-factor (Å2) 83.9
Ramachandran plot (%)c 94.8, 4.9, 0.3
a

Values in parentheses are for the highest resolution shell.

b

Correlation coefficient between <I>of two independently processed half data sets [40].

c

Residues in favoured, allowed and outlier regions of the Ramachandran plot [39].