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. Author manuscript; available in PMC: 2018 Nov 7.
Published in final edited form as: Structure. 2017 Nov 7;25(11):1697–1707.e5. doi: 10.1016/j.str.2017.09.008

Table 3.

Crystallographic statistics.

Wavelength 1 Å
Resolution range 41.9-1.92(1.99-1.92)
Space group C 1 2 1
Unit cell 85.13 48.75 55.80 90 105.97 90
Total reflections 16652
Unique reflections 16650(1447)
Multiplicity 7.0(5.1)
Completeness (%) 96.1(79.9)
Mean I/sigma(I) 21.7
Wilson B-factor 28.2
R-meas 0.077(0.339)
R-pim 0.032(0.141)
Reflections used in refinement 16259(1337)
Reflections used for R-free 1616(133)
R-work 0.187(0.236)
R-free 0.240(0.313)
Number of non-hydrogen atoms 1824
macromolecules 1646
solvent 178
Protein residues 200
RMS(bonds) 0.006
RMS(angles) 0.75
Ramachandran favored (%) 97.4
Ramachandran allowed (%) 2.1
Ramachandran outliers (%) 0.5
Rotamer outliers (%) 0.5
Clashscore 6.8
Average B-factor 42.0
macromolecules 41.9
solvent 43.7
Number of TLS groups 8

Statistics for the highest-resolution shell are shown in parentheses.