TABLE 1.
Crystallographic statistics
| Data collection | Nativea | Zn2+a |
|---|---|---|
| Space group | P21 | P21 |
| Cell dimensions | a = 36.6 Å, b = 101.5 Å, c = 38.4 Å, β = 101.6° | a = 36.7 Å, b = 102.1 Å, c = 38.2 Å, β = 101.8° |
| Wavelength | 1.0163 Å | 1.2718 Å |
| Resolution range | 50.0 to 2.09 Å (2.16 to 1.09 Å)b | 50.0 to 2.11 Å (2.24 to 2.11 Å) |
| Rmerge | 0.074 (0.489) | 0.085 (0.683) |
| I/σI | 19.23 (2.4) | 12.33 (2.15) |
| Completeness | 99.7% (97.5%) | 99.1% (95.7%) |
| Redundancy | 4.6 (4.0) | 3.7 (3.6) |
| Refinement | ||
| Resolution | 35.9 to 2.09 (2.25 to 2.09) | 37.4 to 2.11 (2.25 to 2.11) |
| No. of reflections Rwork | 15,167 (2552) | 14,918 (2434) |
| No. of reflections Rfree | 765 (133) | 791 (125) |
| Rwork | 0.18 (0.24) | 0.19 (0.27) |
| Rfree | 0.24 (0.31) | 0.24 (0.35) |
| No. of atoms | ||
| Protein | 2233 | 2287 |
| Water/ions | 55 | 74 |
| Root mean square deviations | ||
| Bond lengths | 0.008 Å | 0.018 Å |
| Bond angles | 1.0° | 1.0° |
| Ramachandran | ||
| Favored | 96.2% | 97.5% |
| Allowed | 3.8% | 2.5% |
| Rotamer outliers | 0.0% | 2.0% |
a The PDB codes for the native structure and with coordinated Zn2+ are 3VUU and 3VUV.
b Numbers in parentheses represent statistics for highest resolution shell.