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. Author manuscript; available in PMC: 2016 Mar 3.
Published in final edited form as: Structure. 2015 Feb 5;23(3):441–449. doi: 10.1016/j.str.2014.12.014

Table 1. Data Collection and Refinement Statistics.

Data Collection
Wavelength (Å) 1.0750
Space Group P3221
Cell Dimensions
a,b,c (Å) 108.28, 108.28, 213.77
 α, β, γ (°) 90.00, 90.00, 120.00
Molecules/asymmetric unit 1
Resolution (Å) 48.3–3.2 (3.3–3.2)
Unique reflections 24,321
Rmerge 0.084 (1.6)
I/σI 16.4 (1.1)
Completeness (%) 99.8 (99.9)
Redundancy 5.8 (5.9)
CC1/2 1 (0.49)
Refinement
Number of nonhydrogen atoms 3903
Rwork/Rfree (%) 22.1/25.0 (35.6/39.8)
Average B factor 123
Root mean-squared deviation (rmsd)
 Bond lengths (Å) 0.011
 Bond angles (°) 1.8
Ramachandran analysis
 Preferred regions (%) 94.6
 Allowed regions (%) 4.8
 Outliers (%) 0.6

Statistics in parentheses indicate those for the highest resolution shell.