Table 3 Data collection and Refinement statistics for HLA-C*12:02-KF9 and GV37 TCR-HLA-C*12:02-KF9

From: Molecular basis of potent antiviral HLA-C-restricted CD8+ T cell response to an immunodominant SARS-CoV-2 nucleocapsid epitope

Data collection statistics

HLA-C*12:02-KF9

GV37 TCR-HLA-C*12:02-KF9

Space group

I 2

P 21

Cell Dimensions (a, b, c)(Å), angle (°)

62.10 77.12 83.11 β = 100.20

75.01 59.47 109.85 β = 109.91

Resolution (Å)

47.90–1.61 (1.64–1.61)

45.46 – 2.54 (2.66 – 2.54)

Total number of observations

336491 (16729)

202995 (22715)

Nb of unique observations

49905 (2442)

29890 (3299)

Multiplicity

6.7 (6.9)

6.8 (6.9)

Completeness (%)

100.0 (100.0)

98.6 (89.2)

I/σ1

14.8 (3.7)

9.6 (1.1)

Rpima (%)

3.2 (20.2)

6.1 (52.3)

CC1/2

0.997 (0.922)

0.995 (0.691)

Refinement Statistics

Rfactorb (%)

20.4

21.1

Rfreeb (%)

23.1

25.8

R.m.s.d. from ideality

  

Bond lengths (Å)

0.004

0.002

Bond angles (°)

0.65

0.45

Ramachandran plot (%)

  

Allowed

99.73

92.98

Disallowed

0.26

0

PDB Code

9F13

9HLJ

  1. Values in parentheses are for the highest resolution shell. CC1/2, correlation coefficient;
  2. a \({{\rm{R}}}_{pim}=\frac{\sum hkl\sqrt{\frac{1}{n-1}}{\sum }_{j-1}^{n}|{I}_{hkl,j- < {I}_{hkl} > }|}{\sum hkl\sum j{I}_{hkl,j}}\)
  3. b \({{{\rm{R}}}}_{{{\rm{factor}}}}=\frac{\sum hkl|{F}_{o}-{F}_{C}|}{\sum hkl|{F}_{o}|}\) for all data except » 5%, which were used for Rfree calculation.
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