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Table 1 Data collection and refinement statistics

From: Marked enhancement of Acinetobacter sp. organophosphorus hydrolase activity by a single residue substitution Ile211Ala

  AbOPH
Data collection statistics
 Beamline/detector Rigaku Micromax-007 HF&Raxis IV++
 Space group P21 21 21
 Unit cell (Å/deg.) a = 76.8, b = 82.7, c = 99.8, α = β = γ = 90.0
 Wavelength (Å) 1.5418
 Resolution range (Å)a 50.00–2.00 (2.05–2.00)
 Total/unique reflections 43,098/2167
 Redundancya 12.0 (11.6)
 Completeness (%)a 98.6 (99.1)
 Mean I/σ(I)a 31.3 (8.7)
 Wilson B factor (Å2) 25.2
 Solvent content (%) 38.8
Refinement statistics
 Resolution range (Å)a 34.83–2.00 (2.05–2.00)
 R work (%)b 20.4
 R free (%)b 23.8
R.m.s. deviation
 Bond lengths (Å) 0.008
 Bond angles (deg.) 1.22
 Average B factor (Å2) 26.0
Ramachandran plot
 Favored (%) 96.5
 Disallowed (%) 0.0
  1. aNumbers in parentheses are values for the highest-resolution shell
  2. b R work = ∑||F oF c||/acF o|. R free = ∑T||F oF c||/eT|F o|, where T is a test data set of 5 % of the total reflections randomly chosen and set aside prior to refinement