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. 2019 Mar 19;75(Pt 3):242–261. doi: 10.1107/S2059798319003528
No. of data sets 1 2
Crystal parameters    
Space group P6122 P6122
Unit-cell parameters (Å) a = b = 92.36, c = 127.72 a = b = 92.36, c = 127.72
Data statistics    
Resolution range (Å) 67.79–1.55 (1.58–1.55) 67.79–1.55 (1.58–1.55)
No. of unique reflections 46567 (2200) 46572 (2195)
Multiplicity 74.9 (66.8) 149.7 (133.4)
R merge 0.214 (4.511) 0.216 (4.520)
R meas 0.216 (4.545) 0.217 (4.537)
R p.i.m. 0.024 (0.547) 0.017 (0.387)
Completeness (%) 98.6 (95.2) 98.6 (95.3)
I/σ(I)〉 15.3 (0.9) 21.5 (1.3)
CC1/2 1.000 (0.529) 1.000 (0.687)
Resolution range (Å) 60.01–1.55 (1.59–1.55) 60.01–1.55 (1.59–1.55)
No. of reflections    
Total 46461 (3276) 46486 (3272)
Working set 44168 (3083) 44195 (3079)
Free set 2293 (193) 2291 (193)
R work 0.142 (0.308) 0.139 (0.254)
R free 0.176 (0.353) 0.172 (0.283)
No. of non-H atoms 2801 2801
R.m.s. deviations from ideal
Bond lengths (Å) 0.008 0.008
Bond angles (°) 1.261 1.234