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. 2016 Aug 23;7:12580. doi: 10.1038/ncomms12580

Table 1. Crystallographic data and refinement statistics.

Data collection  
 Wavelength (Å) 0.97
 Space group P 63 2 2
 Unit cell dimensions (Å) a=b=135.72c=202.13
 Molecules/asymmetric unit 4
 Resolution range (Å) 50.00–2.8
 Unique observations 27,721
 Completeness (%)* 99.8 (100)
 Rsym (%) 7.2 (7.3)
 I/s(I) 11.2 (1.9)
   
Refinement  
 Resolution (Å) 10–2.8
 Rcryst, Rfree * 0.22 (0.39), 0.26 (0.36)
 Reflections (working/test) 25,543/1,346
 Protein atoms 3,720
 Sulfate atoms 30
 R.m.s.d. bond lengths (Å) 0.01
 R.m.s.d. angles (Å2) 1.5
 <B> protein (Å2) : 75
   
Ramachandran plot
 Most favoured (%) 90.7
 Allowed (%) 7.8
 Generously allowed (%) 1.5

R.m.s.d., root mean-squared deviation.

*High-resolution shell for data collection is 2.8–2.85 and for refinement 2.8–2.87.

Calculated by PROCHECK.