Table 1.
Data collection and refinement statistics
| des3-23ALG-2ΔGF122/Ca2+-bound | des3-20ALG-2F122A/Zn2+-bound | |
|---|---|---|
| PDB code | 3AAJ | 3AAK |
| Data collection | ||
| Beamline | PF BL-5A | PF AR NW-12 |
| Wavelength (Å)a | 1 | 1 |
| Space group | P21 | C2221 |
| a/b/c (Å)a | 42.6/78.9/60.3 | 71.3/170.2/47.0 |
| α/β/γ (°)a | 90.0/104.6/90.0 | 90.0/90.0/90.0 |
| Resolution (Å)a | 50.0-2.40(2.49-2.40) | 50.0-2.50(2.59-2.50) |
| Measured reflections | 55354 | 70399 |
| Unique reflections | 15185 | 10302 |
| Completeness (%)a | 97.9(95.1) | 97.3(88.4) |
| Rmerge (%)a | 5.3(18.8) | 4.3(12.0) |
| I/σa | 15.5(5.8) | 28.8(14.3) |
| Refinement | ||
| Resolution (Å) | 50.0-2.40 | 50.0-2.70 |
| Rwork/Rfree (%) | 19.6/26.6 | 25.2/29.8 |
| Rmsd bond length (Å) | 0.019 | 0.006 |
| Rmsd bond angle (°) | 1.68 | 0.86 |
| Average B-factor (Å2) | 36.8 | 56.3 |
| No. ALG-2 molecule | 2 | 1 |
a Values in parentheses are for highest-resolution shell.