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. Author manuscript; available in PMC: 2017 Aug 27.
Published in final edited form as: Nat Struct Mol Biol. 2017 Feb 27;24(4):395–406. doi: 10.1038/nsmb.3383

Table 1.

Data collection and refinement statistics (molecular replacement)

LS01-HLA-A*02/M1 LS01-HLA-A*02/M1
Data collection
Space group P 1 21 1 P 1
Cell dimensions
a, b, c (Å) 63.81, 75.46, 121.20 49.71, 101.84, 113.55
α, β, γ (°) 90, 98.01, 90 99.38, 92.60, 103.45
Resolution (Å) 29.14-2.06 (2.13-2.06)a 29.05-2.46 (2.55-2.46)
Rmerge 0.176 (0.507) 0.116 (0.852)
I / σI 5.15 (2.64) 8.14 (1.50)
CC1/2 0.99 (0.75) 0.99 (0.66)
Completeness (%) 0.80 (0.84) 0.94 (0.67)
Redundancy 5.7 (5.5) 3.9 (3.7)
Refinement
Resolution (Å) 29.14-2.06 29.05-2.46
No. reflections 56793 72567
Rwork / Rfree 0.176/0.201 0.202/0.222
No. atoms (non-H)
Protein 6623 13293
Ligand/ion 18 40
Water 594 78
B factors
Protein 38.9 67.5
Ligand/ion 19.5 35.7
Water 37.5 46.8
r.m.s. deviations
Bond lengths (Å) 0.007 0.005
Bond angles (°) 0.84 0.88
a

Values in parentheses are for highest-resolution shell.