Table 1

X-ray data collection and refinement statistics

ParameterAN2679AN3016AN3017AN3213
Data collection
    Space groupP212121P212121P212121P21
    Cell dimensions (Å)a = 76.18, b = 118.94, c = 141.03a = 76.68, b = 119.96, c = 142.73a = 76.90, b = 118.80, c = 140.40a = 89.37, b = 76.94, c = 90.71, β= 102.37°
    Resolution (Å)2.12.42.22.3
    Rsyma (%)5.6 (36.7)9.1 (52.9)6.7 (46.1)6.3 (57.5)
    IIa20.1 (3.0)13.1 (2.4)13.7 (2.9)16.8 (2.5)
    Completenessa (%)96.5 (75.0)98.7 (99.2)99.7 (99.8)99.9 (99.9)
    Redundancy3.903.333.993.75
Refinement
    Resolutiona (Å)90.9–2.08 (2.14–2.08)98.8–2.40 (2.46–2.40)90.5–2.20 (2.25–2.20)88.7–2.31 (2.37–2.31)
    No. of reflections work (free)71,134 (3,759)49,003 (2,645)62,461 (3,333)50,171 (2,693)
    Rworka (%)19.4 (26.8)20.8 (28.7)20.6 (26.1)20.0 (29.5)
    Rfreea (%)24.7 (30.8)26.0 (37.7)25.0 (31.7)24.7 (35.7)
    Total no. of non-hydrogen atoms8,5908,3598,5708,709
    No. of protein atoms6,8036,5176,5266,469
    No. of tRNA atoms1,4471,7101,7561,818
    No. of ions and ligand atoms:
        Mg3230
        Inhibitor9141116
    No. of water molecules328116274406
    Average B-factor (Å2)28.843.833.738.4
RMS deviations
    Bond length deviations from ideal (Å)0.0140.0140.0140.012
    Bond angle deviations from ideal (°)1.6241.3901.3611.458
  • a Values for highest-resolution shells are shown in parentheses.