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. Author manuscript; available in PMC: 2014 Jun 20.
Published in final edited form as: Chem Biol. 2013 Jun 20;20(6):10.1016/j.chembiol.2013.04.014. doi: 10.1016/j.chembiol.2013.04.014

TABLE 2.

Crystallographic Data and Refinement Statistics.

Plm1 KR
Data Collection
Space group P21
Cell dimensions
 a,b,c (Å) 45.2, 123.4, 79.9
 α, β, γ (°) 90, 90.27, 90
X-ray source APS 23ID-B
Wavelength (Å) 1.033
dmin (Å) 1.68 (1.74-1.68)a
Rsymm (%) 0.077 (.457)
Ave I/σI 23.5 (3.9)
Completeness (%) 96.9 (94.3)
Average
redundancy 4.6 (4.8)
Refinement b
Data range (Å) 50-1.68
No. reflections 85,333
Rwork/Rfree 0.16/0.19
Polypeptide Chains 2
Number of Atoms
 Protein 6479
 Water 1008
 Ligand 96
RMS Deviations
 Bond length (Å) 0.012
 Bond angle (Å) 1.4
B-factors (Å2)
 Protein 13.4
 Water 26
 Ligand 9.34
Ramachandran plot
 Allowed (%) 100
 Outliers (%) 0
a

Values in parentheses pertain to the outermost shell of data.

b

The final structure is deposited in the PDB with accession code 4HXY.