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% |