Skip to main content
. 2013 Jul 26;8(7):e70031. doi: 10.1371/journal.pone.0070031

Table 1. Data collection and refinement statistics.

Data Collection a
Space group P6422
Cell dimensions
a, b, c (Å) 135.45, 135.45, 153.65
α, β, γ (°) 90, 90, 120
Resolution (Å) 50.00-2.75 (2.80-2.75)b
Total reflections 156642
Unique reflections 22247
No. reflections used 22206
R merge (%) 5.9 (47.3)
I/σ (I) 30.0 (4.6)
Completeness (%) 99.8 (100)
Redundancy 7.0 (7.3)
Refinement statistics
Resolution (Å) 34.85-2.75 (2.87-2.75)
R work/R free (%) 20.2/23.2 (30.97/38.73)
No. Atoms
Protein 2719
Water 39
B-factors
Protein 74.76
Water 57.32
Rmsd Bond lengths (Å) 0.008
Rmsd Bond Angles (°) 1.110
Ramachandran plot statistics
Most favored (%) 91.1
Additionally allowed (%) 8.9
Generously allowed (%) 0.0
Disallowed (%) 0.0
a

All data sets were collected from a single crystal.

b

Values in the parentheses are for the highest-resolution shell.