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. 2014 Jun 5;9(6):e97903. doi: 10.1371/journal.pone.0097903

Table 1. Data collection and refinement statistics.

Data set MtrD
Data Collection
Wavelength (Å) 0.98
Space group R32
Resolution (Å) 50–3.53
(3.68–3.53)
Cell constants (Å)
a 152.99
b 152.95
c 360.74
α, β, γ (°) 90, 90, 120
Molecules in ASU 1
Redundancy 2.9 (2.9)
Total reflections 377,955
Unique reflections 20,296
Completeness (%) 97.7 (98.0)
Rsym (%) 7.7 (42.9)
I/σ(I) 17.16 (1.9)
Refinement
Resolution (Å) 50–3.53
Rwork 27.9
Rfree 33.3
rms deviation from ideal
bond lengths (Å) 0.003
bond angles (°) 0.794
Ramachandran
most favoured (%) 89.6
additional allowed (%) 10.1
generously allowed (%) 0.3
disallowed (%) 0