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. 2007 Sep 12;2(9):e858. doi: 10.1371/journal.pone.0000858

Table 1. Data collection and refinement statistics for the RadA crystal.

Data Types Variables Number
Collection Space group P31
Unit cell a, b, c (Å) 99.55, 99.55, 99.41
Resolution (Å) 30–1.93 (2.00–1.93)
Number of observations 260120 (18570)
Unique reflections 81660 (7557)
Completeness (%) 98.6 (91.4)
Average I/σ(I) 20.2 (1.9)
Rmerge (%) 5.4 (44.9)
Refinement Number of reflections 78018 (6168)
Rwork (95% data) 0.237 (0.346)
Rfree (5% data) 0.295 (0.345)
Rwork (twin) 0.191 (0.306)
Rfree (twin) 0.241 (0.320)
R.m.s.d bond distance (Å) 0.018
R.m.s.d bond angle (deg) 1.7
Ramachandran plot (% non-Gly & non-Pro residues)
In most favored regions 92.6
In additional allowed regions 7.4
Average B (Å2)/No. of non-H atoms
A-chain protein 48.2/1799
B-chain protein 38.6/2254
C-chain protein 38.1/2245
Water molecules 54.1/1099

All positive reflections were used in the refinement. Numbers in parentheses are for the highest resolution shell.