Table 1.
X-ray data collection and structure refinement statistics.
| Data collection | 4H_αBM_1–BCL-xL | 4H_αBM_2–BCL-xL | 4H_αBM_2–MCL-1 |
|---|---|---|---|
| X-ray sourcea | BL5C, PAL | BL5C, PAL | BL5C, PAL |
| Space group | P1 | P1 | P1 |
| Unit cell dimensions | |||
| a, b, c (Å) | 60.61,68.54,80.52 | 60.93,69.05,79.99 | 67.99,74.77,92.16 |
| α, β, γ (°) | 100.89,110.57,108.73 | 100.79,110.00,108.67 | 70.83,89.59,67.58 |
| Wavelength (Å) | 0.97403 | 0.97959 | 0.97959 |
| Resolution (Å) | 50.0–1.9 (1.93–1.90) | 29.21–1.9 (1.97–1.90) | 29.46–2.38 (2.47–2.38) |
| Rsym (%) | 8.7 (32.2)b | 6.6 (79.1)b | 4.8 (63.6) |
| I/σ(I) | 21.8 (2.8) | 10.8 (1.3) | 14.0 (1.8) |
| Completeness (%) | 96.7 (95.3) | 96.68 (95.81) | 97.36 (96.94) |
| Redundancy | 3.6 (3.1) | 3.7 (3.48) | 3.6 (3.64) |
| Refinement | |||
| Resolution (Å) | 38.1–1.9 | 29.21–1.9 | 29.46–2.38 |
| No. of reflections | 162,019 | 83,334 | 61,287 |
| Rwork/Rfree (%) | 16.57/19.67 | 17.15/20.61 | 20.24/24.03 |
| R.m.s deviations | |||
| bond length (Å)/angle (°) | 0.016/1.66 | 0.007/0.781 | 0.006/1.009 |
| Average B-values (Å2) | 32.94 | 41.36 | 70.89 |
| Ramachandran plot (%) | |||
| Favored | 98.1 | 98.1 | 98.4 |
| Allowed | 1.9 | 1.9 | 1.6 |
a
Beamline 5C at Pohang Accelerator Laboratory.
b
The numbers in parentheses are the statistics from the highest resolution shell.