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. 2014 Oct 25;70(Pt 11):1480–1484. doi: 10.1107/S2053230X14020433

Table 1. Data-collection and refinement statistics.

Values in parentheses are for the inner/outer shell.

Diffraction data statistics  
Unit-cell parameters () a = 37.43, b = 73.94, c = 204.90
Space group C2221
Low-resolution limit () 99.0 (99.0/1.85)
High-resolution limit () 1.79 (3.85/1.79)
R merge 0.085 (0.066/0.296)
No. of unique reflections 23540 (2896/1357)
I/(I) 12.7 (21.0/2.2)
Completeness (%) 85.6 (98.1/50.7)
Multiplicity 3.5 (6.0/1.3)
Refinement statistics
Resolution () 102.51.79
No. of reflections, working set 21081
No. of reflections, test set 1203
R cryst, all data 0.176
R cryst, working set 0.173
R free, test set 0.226
Bond r.m.s. (restrained) () 0.010
No. of protein atoms 2753
No. of solvent atoms 299
Ramachandran outliers as determined by MolProbity (%) 0.0
Ramachandran favored (%) 96.2
PDB code 4pmh