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. 2019 Apr 10;1(5):306–319. doi: 10.1096/fba.2018-00039

Table 4.

Crystallographic data collection and refinement statistics

Dataset Native SeMet
Data collection    
Space group P212121 P212121
Cell dimension    
a, b, c (Å) 74.71, 100.7, 128.9 74.67, 97.49, 128.8
α, β, γ (°) 90°, 90°, 90° 90°, 90°, 90°
Resolution (Å) 50‐ 2.16 (2.25‐ 2.16) 50‐ 2.5 (2.54‐ 2.5)
Redundancy 6.5 (3.5) 8.7 (8.3)
Rmerge 9.5 (81.5) 11.7 (61.3)
CC (1/2) (%) 78.7 90.4
<I/σI> 19.7 (2.24) 22.09 (3.59)
Completeness (%) 99.5 (96.2) 96.2 (97.1)
Refinement    
Resolution (Å) 39.71‐2.16  
No. of reflections 52058  
Rwork/Rfree 0.1981/0.2315  
No. of atoms 14,660  
Protein 14,159  
Water 472  
Zn 2  
ACT 7  
TRS 20  
B factors 46.0  
Protein 32.1  
Water 36.8  
RMSD    
Bond lengths (Å) 0.005  
Bond angles (°) 0.711