Table 1. Data collection and refinement... | Rockefeller University Press

Table 1.

Data collection and refinement statistics

	MAIT TCR
Data collection
Temperature (K)	100
Resolution limits (Å)	50-1.7 (1.79-1.70)
Space group	P2₁2₁2₁
Cell dimensions (Å)	a = 41.96; b = 64.51; c = 155.12; α = γ = β = 90.00°
Total no. observations	351,526
No. unique observations	45,957
Multiplicity^a	7.6 (7.4)
Data completeness^a	97.1 (92.6)
I/σ₁^a	13.7 (2.5)
R_p.i.m^a^b (%)	3.5 (28.5)
Refinement statistics
R_factor^c (%)	19.1
R_free^d (%)	23.1
Nonhydrogen atoms: protein/ water	3,472/271
Ramachandran plot: most favored/allowed region (%)	89.1/10.9
B-factors: average main chain/average side chain/water (Å²)	17.3/20.4/26.7
rmsd bonds (Å)	0.014
rmsd angles (°)	1.500

	MAIT TCR
Data collection
Temperature (K)	100
Resolution limits (Å)	50-1.7 (1.79-1.70)
Space group	P2₁2₁2₁
Cell dimensions (Å)	a = 41.96; b = 64.51; c = 155.12; α = γ = β = 90.00°
Total no. observations	351,526
No. unique observations	45,957
Multiplicity^a	7.6 (7.4)
Data completeness^a	97.1 (92.6)
I/σ₁^a	13.7 (2.5)
R_p.i.m^a^b (%)	3.5 (28.5)
Refinement statistics
R_factor^c (%)	19.1
R_free^d (%)	23.1
Nonhydrogen atoms: protein/ water	3,472/271
Ramachandran plot: most favored/allowed region (%)	89.1/10.9
B-factors: average main chain/average side chain/water (Å²)	17.3/20.4/26.7
rmsd bonds (Å)	0.014
rmsd angles (°)	1.500

Values in parentheses refer to the highest resolution bin.

R_p.i.m = Σ_hkl [1/(N − 1)]^1/2 Σ_i | I_{hkl, i}− <I_hkl> | / Σ_hkl <I_hkl>

R_factor = (Σ | |F_o|− |F_c| |) / (Σ |F_o|), for all data except as indicated in footnote d.

5% of data were used for the R_free calculation