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. Author manuscript; available in PMC: 2012 Feb 1.
Published in final edited form as: J Immunol. 2011 Jan 5;186(3):1575–1588. doi: 10.4049/jimmunol.1002990

Table I.

Summary of crystallographic analysis.

Data collection and processing
 Space group P4322
 Cell dimensions
  a, b, c (Å) 116.08, 116.08, 82.41
  α, β, γ (°) 90, 90, 90
Rmerge 0.134 (0.694)
 Mean I/σI 18.2 (3.5)
 Total number of observations 205551 (28445)
 Total number of unique observations 16014 (2294)
 Completeness 99.9% (100%)
 Redundancy 12.8 (12.4)
Refinement
 Resolution limits (Å) 50-2.70
 Reflection σ cutoff I > 0 σ
 Reflections (total / test) 15812 / 771
R / Rfree factors 0.226 / 0.282
 Number of atoms 3197
 RMSD bond length (Å) 0.008
 RMSD bond angle (°) 1.38
 Average B factor
  MHC heavy chain (A, 2256 atoms) 49.27
  Light chain β2m (B, 833 atoms) 47.47
  Peptide (C, 66 atoms) 43.22
  Water (42 atoms) 44.12
PROCHECK statistics
 Residues in most favored regions 86.6%
 Residues in additional allowed regions 12.8%
 Residues in generously allowed regions 0.6%
 Residues in disallowed regions 0.0%