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. Author manuscript; available in PMC: 2019 Dec 3.
Published in final edited form as: Biochemistry. 2018 Jan 12;57(5):574–584. doi: 10.1021/acs.biochem.7b01151

Table 1.

Data Collection and Refinement Statisticsa

Data Collection
beamline SBC19-ID (APS)
wavelength (Å) 0.9794
resolution range (Å) 33.48–1.95 (2.02–1.95)
space group I222
unit cell 56.65 Å, 135.54 Å, 149.61 Å, 90°, 90°, 90°
total no. of reflections 41902
no. of unique reflections 38497 (2564)
multiplicity 4.0 (3.2)
completeness (%) 0.995 (0.997)
mean I/σ(I) 16.25 (2.15)
Wilson B factor 18.02
Rmerge, Rmeas 0.10 (0.81), 0.11 (0. 95)
Refinement
Rwork, Rfree 0.162 (0.179), 0.184 (0.204)
bonds (Å)/angles (deg) 0.008/1.174
no. of non-hydrogen atoms 3191
 macromolecules 2936
 ligands 23
 protein residues 384
root-mean-square deviation for bonds (Å) 0.008
root-mean-square deviation for angles (deg) 1.13
Ramachandran favored/allowed (%) 98/2.1
Ramachandran outliers (%) 0
rotamer outliers (%) 2.2
Clashscore 0.85
average B factor (Å2) 25.99
molecule/ligands/solvent (Å2) 25.66/20.39/30.69
a

Statistics for the highest-resolution shell are shown in parentheses.