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. 2006 Jun 15;103(26):9820–9825. doi: 10.1073/pnas.0602517103

Table 2.

Data collection, phasing, and refinement statistics

Parameter Native SeMet NrtA
Data collection
    Space group P21 P21
    Cell dimensions
        a, b, c, Å 55.96, 53.8, 65.88 55.98, 53.76, 65.95
        α, β, γ, ° 90, 107.7, 90 90, 107.7, 90
Peak Inflection Remote
    Wavelength 0.97132 0.97899 0.97915 0.97132
    Resolution, Å 50–1.51 50–2.01 50–2.01 50–1.99
    Rsym 5.9 (15.0) 8.4 (10.8) 9.6 (12.4) 6.4 (8.3)
    II 20.3 (6.0) 28.0 (18.3) 28.5 (18.4) 27.1 (18.7)
    Completeness, % 98.4 (99.4) 97.4 (91.8) 97.3 (91.0) 97.2 (96.6)
    Redundancy 3.9 (3.7) 4.0 (3.8) 4.0 (3.8) 3.9 (3.8)
Refinement
    Resolution, Å 50–1.5
    No. of reflections 57920
    Rwork/Rfree 20.12/22.16
    No. of atoms 3,236
        Protein 3,017
        Ligand/ion 4
        Water 215
    B-factors
        Protein 15.8
        Ligand/ion 12.6
        Water 24.3
    rms deviations
        Bond lengths, Å 0.0139
        Bond angles, ° 1.67