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. 2014 Dec 5;9(12):e112873. doi: 10.1371/journal.pone.0112873

Table 2. Crystallographic data collection and refinement statistics.

Data collection
Space group P321
Cell dimensions
a, b, c (Å) 102.85, 102.85, 60.00
α, β, γ (°) 90, 90, 120
Resolution (Å) 60–2.5 (2.63–2.5)*
R merge (%) 15.4 (94.9)*
I/σI 9.1 (3.0)*
CC1/2 0.99 (0.64)*
Completeness (%) 98.7 (97.5)*
Multiplicity 5.4 (5.4)*
Refinement
Resolution 60–2.5 Å
No. reflections 12817 (623**)
R work/R free 19.16%/23.72%
Number of atoms
Protein and retinal 1827
Water 19
Lipid fragments 188
Sulfate ions 10
Average B-factor (Å2)
Protein and retinal 38.8
Water 40.8
Lipid fragments 53.5
Sulfate ions 63.9
R.m.s. deviations
Bond lengths 0.010 Å
Bond angles 1.7°

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

** Number of reflections that are not used for refinement (free reflections).