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. 2006 Apr 3;103(15):5711–5716. doi: 10.1073/pnas.0510233103

Table 1.

Data collection and refinement statistics

Ag-HKT:PLP Ag-HKT:INI
Data collection
    Resolution, Å 2.4 2.7
    Observations 206,560 125,049
    Unique reflections 65,686 45,886
    Rmerge 0.064 0.071
    Multiplicity 3.1 2.7
    Completeness, % 98.9 98.2
Refinement
    No. of protein atoms 12,180 12,143
    No. of solvent molecules 380 142
    No. of PLP atoms 60 60
    No. of INI atoms — 56
    No. of GOL atoms 24 —
    Rwork, % 21.2 21.2
    Rfree, % 24.4 26.6
    rms deviation bond lengths, Å 0.014 0.017
    rms deviation bond angles, ° 1.44 1.59
    Mean B factor main chain, Å2 40.0 36.5
    Mean B factor side chain, Å2 41.4 38.6
    Mean B factor PLP atoms, Å2 40.5 30.3
    Mean B factor INI atoms, Å2 — 55.0
    Mean B factor GOL atoms, Å2 60.0 —
    Mean B factor solvent, Å2 35.5 27.2

INI, inhibitor; GOL, glycerol.