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. 2004 Aug 13;101(34):12455–12460. doi: 10.1073/pnas.0403454101

Table 1. Data collection and refinement statistics.

Rep40—ADP
Data collection
    Wavelength, Å 1.1
    Resolution, Å 2.1
    No. of reflections measured 77,853
    No. of unique reflections 15,662
    % Completeness 97.9 (93.7)
    Rmeas,* % 6.9 (41.7)
    Rmerge,* % 6.2 (36.7)
    Mean I* 17.6 (4.3)
Refinement statistics
    Resolution range, Å 20-2.1
    Reflections, F > 2σ (F) 14,926
    Rcrys,§ % 19.2
    Rfree, % 23.7
    Nonhydrogen atoms
        Protein 2,044
        Water 213
        ADP 27
    rms deviations
        Bonds, Å 0.0175
        Angles, ° 2.54
    Average B factor, Å2 33.77

Values in parentheses are for the outermost shell.

*

These values were calculated with the program novel_r (69).

Inline graphic.

Rmerge = Σ |I — 〈I〉|/|Σ|, where I is the integrated intensity of a given reflection.

§

Rcrys = Σ |Fo| — |Fc|/Σ |F|.

Rfree was calculated by using 10% of data excluded from the refinement.