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. 2013 May 6;41(13):6729–6738. doi: 10.1093/nar/gkt321

Table 1.

Data collection and refinement statistics

Data collection
    Beam line Photon Factory BL5A
    Wavelength (Å) 0.97848
    Space group I432
    Cell parameters a = b = c = 272.8 Å
    Resolution (Å) 50.0–3.10 (3.21–3.10)a
    Unique reflections 31 714 (3126)a
    Completeness (%) 99.9 (100.0)a
    Redundancy 15.0 (14.6)a
    Rsymb 0.094 (0.847)a
    I/σ(I) 28.4 (3.49)a
Structure refinement
    Working-set reflections 29 484
    Test-set reflections 1556
    Resolution (Å) 50.0–3.10
    Number of SerRS subunits 1 (one half of dimer)
    Number of RNA molecules 1
    Number of protein atoms 4363
    Number of RNA atoms 2090
    Number of ligands 1 (Ser-SA)
    Number of ions 1 (Zn2+), 8 (sulfate), 15 (Pt2+)
    Number of solvent molecules 0
    Rwork/Rfreec 0.204/0.260
 Average B factor (Å2)
        Overall 128.4
        Protein 112.0
        RNA 163.0
        Ligand 71.4
        Ion 152.2
    RMSD bond lengths (Å) 0.009
    RMSD bond angles (°) 1.25
    Ramachandran-plot analysisd
        Most favored regions (%) 95.2
        Additional allowed regions (%) 4.8
        Generously allowed regions (%) 0.0
        Disallowed regions (%) 0.0

aThe statistics in the highest-resolution shell are given in parentheses.

bRsym = ∑hkli[|Ii(hkl) − <I(hkl) > |]/∑hkli[Ii(hkl)], where Ii(hkl) is the intensity of the ith measurement of hkl and <I(hkl)> is the average value of Ii(hkl) for all ith measurements.

cRwork, free = ∑hkl(||Fobs|−k|Fcalc||)/∑hkl(|Fobs|), where Rwork and Rfree are calculated using the working-set and test-set reflections (5% of the total reflections), respectively.

dProcheck (20) was used for Ramachandran-plot analysis.