Table 1. Data collection statistics
NativeSAD
Data collection
Resolution (Å)99–1.98 (2.02–1.98)25–3.0 (3.09–3.0)
Space groupP41212P41212
Unit cell parametersa=b=62 Å; c=147.9 Åa=b=61.9 Å; c=150 Å
Total number of reflections273269231794
Total number of unique reflections2081811111
Rsym (%)a5.8 (27.8)11.5 (37.8)
Completeness (%)98.3 (86.7)100 (100)
I/σ(I)18.9 (1.6)20.2 (5.1)
Redundancy1321
Phasing
Resolution (Å)80–3.0
FoM (after density modification)0.25 (0.55)
Refinement
Resolution (Å)20–2.0
R/Rfree (%)b19.4/23.5
R.m.s.d. bonds (Å)0.005
R.m.s.d. angles (deg)1.07
Mean B factor (Å2) prot/water27/34
Ramachandran plot
Most favoured89%
Allowed11%
  • Values in parentheses are for the highest resolution shell.

  • a Rsym=∑hiIhi−〈Ih〉∣/∑hiIhi, were Ihi is the ith observation of the reflection h, while 〈Ih〉 is the mean intensity of reflection h.

  • b Rfactor=∑∥∣Fo∣−∣Fc∥/∣Fo∣. Rfree was calculated with a small fraction (5%) of randomly selected reflections.