Table 1.
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) |
The numbers in parentheses refer to the statistics for the outer resolution shell (3.26–3.15 Å).
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.
The Rfree value was calculated using 5% of the data.
Root-mean-square deviation.