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. Author manuscript; available in PMC: 2018 Jun 22.
Published in final edited form as: Biochemistry. 2010 Jun 22;49(24):5042–5047. doi: 10.1021/bi100292y

Table 1.

Crystallographic Data Collection and Refinement Statistics

PDB entry 3LWW
Data Collection
wavelength (Å) 0.918
space group P1211
unit cell dimensions (Å) a = 101.65, b = 101.73, c = 101.96
unit cell angles (deg) α = γ = 90, β = 110.88
resolution range (Å) 15–3.15
B value from Wilson plot (Å2) 73.90
total no. of observations 63234
no. of unique observations 32721
completeness (%) 99.2 (69.0)a
Rsymb (%) 12.5 (53.5)a
I〉/〈σ(I)〉 16.3 (1.2)a
Refinement
no. of reflections (15–3.15 Å) 59672
Rwork/Rfreec (%) 26.35/31.29
no. of water molecules 0
B value of model (Å2) 88.17
rmsdd from ideal bond lengths (Å) 0.003
rmsdd from ideal bond angles (deg) 0.716
Ramachandran plot (%) (residues)
  core region 82.7 (1365)
  allowed region 15.9 (262)
  generously allowed region 1.1 (18)
  disallowed region 0.3 (5)
a

The numbers in parentheses refer to the statistics for the outer resolution shell (3.26–3.15 Å).

b

Rsym = Σi,h|I(i,h) − 〈I(h)〉|/Σi,h|I(i,h)|, where I(i,h) and 〈I(h)〉 are the ith and mean measurements of intensity of reflection h, respectively.

c

The Rfree value was calculated using 5% of the data.

d

Root-mean-square deviation.