Table 1.

Data collection, phasing, and refinement statistics.

Native datasetSeMet dataset
Data collection
 Space groupP4322P4322
 Cell dimensions
  a, b, c (Å)92.96, 92.96, 15693.08, 93.08, 155.8
  α, β, γ (°)90, 90, 9090, 90, 90
 Wavelength (Å)0.9720.972
 Resolution (Å)a34.65–2.54 (2.61–2.54)32.48–2.86 (2.93–2.86)
 No. unique reflectionsa23,299 (1,687)16,485 (1,172)
 Rsym or Rmergea0.097 (0.786)0.151 (0.869)
 Average I/Iσa30.8 (4.8)22.2 (4.5)
 CC1/2a1.000 (0.958)0.999 (0.939)
 Completeness (%)a99.8 (99.9)99.8 (99.7)
 Redundancya26.1 (27.4)25.7 (25.8)
Refinement
 Rwork/Rfree21.6/24.4
 Ramachandranb
  Allowed100%
  Favoured93.6%
  MolProbity Scoreb1.60 (99th percentile)
 No. atoms
  Protein3,495
  Water35
 Average B factor (Å2)54.8
 R.M.S deviation
  Bond length (Å)0.01
  Bond angles (°)1.15
  • a Values in brackets are for the highest resolution shell.

  • b Determined using MolProbity (60).