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. 2009 Apr;18(4):850–855. doi: 10.1002/pro.73

Table I.

Statistics of Data Collection and Structure Refinement

Space group P65
Unit-cell parameters 133.15, 133.15, 164.21
a, b, c (Å)
Resolution (Å) 47.14–2.60 (2.74–2.60)
Total number of refl. 205,989 (27,568)
Total of unique refl. 50,396 (6968)
Multiplicity 4.1 (4.0)
Rmerge1 0.128 (0.031)
I/σ(I) 4.6 (0.9)
Overall completeness (%) 99.1 (99.1)
R/Rfree (%)b 19.23/23.37
R.m.s.d. bonds (Å) 0.007
R.m.s.d. angles (°) 1.075
Ramachandran plot (%)
Most favored 90.1
Allowed 9.4

Rmerge = ΣhΣi|Ihi − <Ih>|/ΣhΣiIhi, where Ihi is the observation of the reflection h, and <Ih> is the mean intensity of reflection h.

Rfactor = Σ‖Fo| − |Fc‖/|Fo|. Rfree was calculated with a set of randomly selected reflections (5%).