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. 2013 Aug 27;8(8):e73212. doi: 10.1371/journal.pone.0073212

Table 1. Data collection and refinement statistics (molecular replacement).

YFP-1G YFP-3G
Data collection
Space group P212121 P212121
Cell dimensions
a, b, c (Å) 51.2, 62.8, 69.8 51.1, 63.0, 70.0
Resolution (Å) 17.25 - 1.30 21.28 - 1.50
(1.37 - 1.3) * (1.59 - 1.5)
R merge 6.5 (46.9) 6.6 (41.5)
I / σI 15.9 (3.5) 17.5 (3.4)
Completeness (%) 97.3 (94.5) 98.6 (91.6)
Redundancy 5.6 (5.3) 6.5 (4.4)
Refinement
Resolution (Å) 17.25 - 1.30 21.28 - 1.50
(1.38 - 1.3) (1.59 - 1.5)
No. reflections 54393 (8252) 36294 (5276)
R work / R free 19.8/21.2 (27.3/26.9) 19.2/20.8 (24.9/27.7)
No. atoms
Protein 1833 1812
Ligand/ion 0 0
Water 410 355
B-factors
Protein 11.8 13.4
Water 27.6 28.3
R.m.s. deviations
Bond lengths (Å) 0.008 0.006
Bond angles (°) 1.7 1.5

All values in parentheses are for the highest-resolution shell.

*

Number of xtals for each structure should be noted in footnote.