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. 2017 Feb 21;8(3):333–337. doi: 10.1021/acsmedchemlett.6b00505

Table 1. Data Collection and Refinement Statistics.

  ERAP2/2 ERAP2/1
Data Collection
space group P21 P21
a, b, c (Å) 73.5, 134.3, 127.6 74.4, 135.2, 127.5
β (deg) 91.7 90.1
resolution (Å) 73.51–2.80 (2.95–2.80)a 48.35–2.90 (3.05–2.90)a
Rmerge(%) 11.2 (111)a 6.2 (67)a
I/σ(I) 8.6 (1.7)a 17.8 (2.3)a
Refinement
resolution (Å) 73.51–2.80 (2.84–2.80)a 48.35–2.90 (2.93–2.90)a
no. reflections (all/used) 60772/60732 108521/108499
Rwork/Rfree(%) 20.5/27.6 (30.2/39.7)a 20.5/27.3 (35.2/44.2)a
no. atoms (per asymmetric unit) 15067 (47 alternate) 14637 (41 alternate)
nonsolvent 15018 (47 alternate) 14593 (41 alternate)
average B overall (Å2) 74.0 76.5
RMSD bond lengths (Å) 0.011 0.010
RMSD bond angles (deg) 1.387 1.379
Ramachandran
preferred (%) 86.5 87.0
allowed (%) 10.9 11.6
outliers (%) 2.6 1.4
a

Values for the highest resolution shell.