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. 2018 Mar 12;13(4):915–921. doi: 10.1021/acschembio.7b01093

Table 1. Crystallographic Data Collection and Refinement Statisticsa.

data collection BAZ2A-ART BAZ2A-ARTAATARKS BAZ2A-Fr19 BAZ2A-Fr23
space group P43212 P43212 P43212 P43212
cell dimensions        
a, b, c (Å) 73.4, 73.4, 99.7 72.7, 72.7, 99.9 72.1, 72.1, 99.2 72.8, 72.8, 99.6
α, β, γ (deg) 90, 90, 90 90, 90, 90 90, 90, 90 90, 90, 90
resolution 46.03 (2.0) 45.72 (2.0) 45.34 (1.9) 45.2 (2.7)
unique observations 19049 18751 21069 7841
completeness (%) 99.9 (99.9) 99.9 (99.9) 99.3 (98.8) 100 (100)
redundancy 8.6 (9.0) 9.7 (9.9) 3.8 (4.0) 12 (12.3)
CC1/2 0.99 (0.78) 0.99 (0.91) 0.99 (0.83) 0.99 (0.95)
I/σ(I) 15.5 (2.1) 14.0 (4.0) 14.3 (2.6) 10.7 (3.7)
wavelength (Å) 0.9282 0.9763 0.9763 0.9686
refinement        
Rwork/Rfree (%) 19.3/23.5 19.4/22.3 18.9/23.1 20.8/24.4
rmsd bond (Å) 0.011 0.007 0.015 0.005
rmsd angle (deg) 1.6 1.26 1.9 0.75
PDB code 6FHU 6FKP 6FI0 6FAP
data collection BAZ2B–Fr21 BAZ2B–Fr23
space group P212121 P212121
cell dimensions    
a, b, c (Å) 38.3, 45.4, 65.0 37.8, 45.5, 64.8
α, β, γ (deg) 90, 90, 90 90, 90, 90
resolution 65.04 (1.95) 64.83 (2.7)
unique observations 8453 3349
completeness 97.7 (87.1) 100.0 (100.0)
redundancy 5.8 (4.9) 5.6 (5.9)
CC1/2 0.99 (0.91) 0.96 (0.56)
I/σ(I) 18.1 (1.3) 5.3 (1.9)
wavelength (Å) 0.9686 0.9686
refinement    
Rwork/Rfree (%) 18.5/23.8 22.6/29.9
rmsd bond (Å) 0.02 0.014
rmsd angle (deg) 1.88 1.73
PDB code 6FHQ 6FI1
a

Values shown in parentheses are for the highest resolution shell.