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. 2015 Jun 29;112(28):8614–8619. doi: 10.1073/pnas.1504648112

Table S1.

Data collection and refinement statistic

Data collection
 Spacegroup P212121
 Cell constants, Å a = 50.99, b = 89.68,c = 95.25,α = β = γ = 90°
 Wavelength, Å 0.97975
 Resolution (last shell), Å 50.0–2.28 (2.42–2.28)
 No. of unique reflections 37155 (5515)
 No. of total reflections 284963 (41350)
 Completeness, % 98.4 (90.6)
 Redundancy 7.7 (7.5)
Rmeas, % 13.4 (73.1)
I/ 13.36 (3.03)
Refinement
 Resolution, Å 47.3–2.28
Rwork/Rfree, % 18.7/23.0
 Residues modeled ceGLD-2 546–765, 774–803, 855–875, 882–923
 Residues modeled ceGLD-3 25–88
 Total no. of waters 115
 Total no. of heteroatoms 1
Rms deviations
 Bond lengths, Å 0.003
 Bond angles, ° 0.753
 Dihedral angles, ° 14.37
 Average B factors, Å2 44.2
Ramachandran plot
 Residues in most favored region, % 95.9
 Additionally allowed, % 3.8
 Generously allowed or not allowed, % 0.3

Numbers in parentheses correspond to the last shell.