Table 2.
X‐ray data collection and refinement statistics for the XIAP‐BIR1 V86E and XIAP‐BIR1/5 a structures.
| Structure | XIAP‐BIR1V86E | XIAP‐BIR1/5 a |
|---|---|---|
| Space group | P21 | P21 |
| Unit‐cell parameters [Å;°] | a=36.5, b=72.7, c=70.2; β=96.2 | a=36.5, b=75.8, c=70.0; β=90.0 |
| Solvent content (%) | 36 | 39 |
| Number of molecules per asymmetric unit | 4 | 4 |
| Resolution (Å) | 36.35–2.30 | 33.33–1.90 |
| Number of unique reflections | 16,267 (1,191) a | 30,098 (2,231) |
| Completeness (%) | 99.6 (99.9) | 99.9 (100) |
| Multiplicity | 3.7 (3.8) | 7.1 (7.2) |
| Rmeas (%) | 23.6 (87.0) | 7.9 (61.1) |
| Average I/σ (I) | 4.4 (1.58) | 15.8 (2.49) |
| Rfactor (%) | 26.3 | 24.0 |
| Rfree (%) | 30.4 | 28.9 |
| r.m.s. bond lengths (Å) | 0.009 | 0.015 |
| r.m.s. bond angles (°) | 1.64 | 1.85 |
| Average B factor (Å2) | 47.8 | 30.0 |
| Residues in most favored regions (%) | 93.5 | 97 |
| Residues in additionally allowed regions (%) | 6.5 | 3 |
| PDB‐ID | 6QCI | 6GJW |
aValues in parentheses are for the highest resolution shell: 2.36–2.30 and 1.95–1.90, for XIAP‐BIR1V86E and XIAP‐BIR1/5 a, respectively.