Table 2

Statistics of the crystallographic analysis

Data setResolution ÅReflections (measured/unique)Completeness % (overall/outer shell)Rsym % (overall/outer shell)Phasing power Iso (acentric/centric)Rcullis Ano/Iso
MAD Structure determination (4 Se sites)
 λ1 = (0.97926 Å)30.0–1.60104,037/15,96897.0/77.23.2/8.40.24/—
 λ2 = (0.97878 Å)30.0–1.6065,171/15,92096.6/75.83.1/7.63.09/2.050.23/0.40
 λ3 = (0.96112 Å)30.0–1.6053,600/16,10697.7/80.82.7/5.64.62/3.390.29/0.30
Native data collection
 λ = (1.1000 Å)20.0–1.04460,042/31,61999.7/98.05.9/33.6
  • Rsym = Σ|I − 〈I〉|/∑I, where I = observed intensity, 〈I〉 = average intensity obtained from multiple observations of symmetry related reflections. Phasing power = root-mean-square deviation (rmsd) (|FH|/E), |FH| = heavy atom structure factor amplitude and E = residual lack of closure. MAD figure of merit (28-1.7 Å) 0.92.