Table 1. Data collection and refinement statistics.
SEAF47A-TCR | SEE-TCR | |
---|---|---|
Data collection | ||
Space group | P21212 | P21212 |
Cell dimensions | ||
a, b, c (Å) | 114.3, 150.4, 39.69 | 113.3, 150.1, 39.16 |
α, β, γ (°) | 90, 90, 90 | 90, 90, 90 |
Resolution (Å) | 45.9–3.09 (3.26−3.09) | 45.8−2.40 (2.53−2.40) |
No. reflections/unique | 36,678/12,028 | 176,772/26,772 |
Rmerge | 0.124 (0.720) | 0.104 (0.678) |
I/σI | 14.4 (2.8) | 16.3 (1.9) |
Completeness (%) | 92.4 (90.9) | 98.8 (92.4) |
Redundancy | 3.0 (3.0) | 6.6 (4.3) |
Refinement | ||
Resolution (Å) | 3.1 | 2.4 |
Rwork/Rfree | 0.2571/0.2908 | 0.2119/0.2416 |
No. atoms | ||
Protein | 4767 | 5102 |
Zinc | – | 1 |
Water | 4 | 94 |
B-factors | ||
Protein | 57.91 | 38.72 |
Zinc | – | 66.31 |
Water | 14.15 | 30.58 |
R.m.s. deviations | ||
Bond lengths (Å) | 0.007 | 0.007 |
Bond angles (°) | 0.880 | 1.020 |
Ramachandran statistics | ||
Favored (%) | 87.2 | 91.6 |
Allowed (%) | 12.1 | 8.1 |
Generously allowed (%) | 0.5 | 0.3 |
Disallowed (%) | 0.2 | 0 |
Data were collected from single crystals. Values in parentheses are for the highest resolution shell.