Table 1

Statistics of the crystallographic analysis

MAD analysis (Beamline X25)Resolution, ÅReflections (measured/unique)Completeness, % (overall/outer shell)Rsym, % (overall/outer shell)Phasing power (acentric/centric)
Structure determination
 λ1 (0.97953 Å)50.0–1.9440,406/4,78299.9/100.05.3/5.8—/—
 λ2 (0.97935 Å)50.0–1.9440,457/4,78799.9/100.05.1/5.41.24/0.97
 λ3 (0.97780 Å)50.0–1.9440,948/4,79199.9/100.04.5/5.01.29/1.06
 λ4 (0.98089 Å)50.0–1.9440,558/4,79399.9/100.04.2/4.61.03/1.06
 Overall MAD figure of merit (acentric/centric) 0.8048/0.7193
Refinement statistics for native data (Beamline ID-19)
 Resolution, Å20.0–1.02
 Completeness, %99.0
R factor (F0 > 4σ/all data)0.114/0.126
 Free R factor (F0 > 4σ/all data)0.134/0.145
  Bond length, Å0.007
  Angle distance, Å0.025
  • Rsym = ∑|I − 〈I〉|∑I, where I is observed intensity, 〈I〉 is average intensity obtained from multiple observations of symmetry-related reflections. Pairs of Friedel-related reflections of all datasets treated as two different reflections until refinement rms bond lengths and rms bond angles are the respective rms deviations (rmsd) from ideal values. Free R factor was calculated with 5% of the data omitted from the structure refinement.