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. Author manuscript; available in PMC: 2012 Apr 1.
Published in final edited form as: Mol Biochem Parasitol. 2010 Dec 30;176(2):98–108. doi: 10.1016/j.molbiopara.2010.12.009

Table 2.

Data-collection and refinement statistics for L. major GSK-3 short

Wavelength (Å) 0.9184
Resolution (Å) 50 – 2.0 (2.00 – 2.07)
Space group C2221
Unit cell (Å) a = 70.2, b = 155.7, c = 158.8.
Total number of observations 358269
Unique reflections 54336 (3879)
Rmerge 0.087 (0.691)
Completeness (%) 92.3 (66.6)
Mean I/σ(I) 20.1 (1.7)
Redundancy 6.6 (5.0)
Wilson B factor (Å2) 32.1
Refinement
Resolution (Å) 40 –2.0
R/Rfree 0.226/0.271
Rmsd bonds (Å) 0.022
Rmsd angles (°) 1.968
Protein atoms 5415
Water molecules 196
Mean B protein (Å2) 46.1
Mean B other atoms (Å2) 39.8
Residues in most favored regions (%) 96.1
Residues in allowed regions (%) 100.0
Residues in disallowed regions (%) 0