Table 1.
Data collection | ||
PDB ID | 2XWC | 4A63 |
Space group | P4332 | I121 |
Cell dimensions | ||
a/b/c (Å) | 110.4/110.4/110.4 | 132.8/170.1/177.6 |
α/β/γ (°) | 90/90/90 | 90/92/90 |
Resolution (Å) | 1.82 (1.92–1.82) | 2.65 (2.79–2.65) |
Unique observations | 21,247 (3017) | 111,026 (16,378) |
Completeness (%) | 100 (100) | 97.4 (98.7) |
Redundancy | 13.2 (12.9) | 3.7 (3.8) |
Rmerge | 0.165 (1.239) | 0.115 (0.686) |
I/σI | 11.9 (2) | 8.4 (2.1) |
Refinement | ||
Resolution (Å) | 1.82 | 2.65 |
Rwork/Rfree (%) | 0.1890/0.2282 | 0.2151/0.2441 |
Number of atoms | ||
Protein | 1590 | 18,380 |
Heteroatoms | 19 | 46 |
Water | 175 | 806 |
B‐factors | ||
Protein | 24.64 | 51.32 |
Heteroatoms | 39.97 | 57.34 |
Water | 28.7 | 43.76 |
RMSD | ||
Bond lengths (Å) | 0.016 | 0.01 |
Bond angles (°) | 1.542 | 1.08 |
Numbers in parentheses refer to the highest-resolution shell.