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. 2014 Feb 28;458(Pt 3):525–536. doi: 10.1042/BJ20131429

Table 2. Crystallographic data collection, refinement and model details (PDB code 4N19).

Values in paretheses are for the highest-resolution shell.

Parameter Value
Data collection
 Resolution range (Å) 35–1.20 (1.3–1.20)
 Number of unique reflections 23973
 Redundancy 5.7 (2.2)
 Completeness (%) 72.7 (8.5)
 Average I/σ(I) 48.5 (2.5)
Rmerge (%) 6.0 (34)
Refinement
 Resolution limits (Å) 35–1.20
 Number of reflections 23973
Rwork (%) 12.6
Rfree (%) 18.0
 Non-hydrogen atoms
    Protein 891
    SO42− 1
    Water 148
 Average B2)
    All atoms 20
    Solvent 41
 Geometry
    RMSD bond length (Å) 0.02
    RMSD bond angle (°) 2.28