Data collection and refinement statistics

ParameterLapA result(s)a
Crystal parameters
    Space groupP212121
    Cell dimensions (Å)a = 76.60; b = 99.95; c = 104.02
Data collection
    BeamlineDLS I03
    Wavelength (Å)0.97625
    Resolution (Å)99.55–1.87 (1.87–1.92)
    No. of unique observations66,414 (4,808)
    Rsymb0.063 (1.2)
    <I>/σI12.5 (3.7)
    Completeness (%)100 (100)
    Redundancy6.5 (6.2)
 Rwork/Rfree (%)19.2/23.8
    No. of protein residues719
    No. of water molecules313
    No. of ions4 Zn ions
RMSD stereochemistryd
    Bond lengths (Å)0.022
    Bond angles (°)2.045
Ramachandran analysise
    Residues in outlier regions (%)0.0
    Residues in favored regions (%)98.6
    Residues in allowed regions (%)100
  • a Numbers in parentheses refer to the outermost resolution shell.

  • b Rsym = ∑|I − <I>|/∑I, where I is the integrated intensity of a given reflection and <I> is the mean intensity of multiple corresponding symmetry-related reflections.

  • c Rwork = ∑||Fo − |Fc||/∑Fo, where Fo and Fc are the observed and calculated structure factors, respectively. Rfree = Rwork values calculated using 10% random data excluded from the refinement.

  • d The RMSD stereochemistry value represents the deviation from ideal values.

  • e Ramachandran analysis was carried out using Molprobity (81).