Table 1.
Data collection and refinement statistics
| Parametera | Value for CNVb |
|---|---|
| PDB accession no. | 4LLF |
| Data collection statistics | |
| Wavelength (Å) | 1.5418 |
| Data resolution (Å) | 75.3–2.9 (3.0–2.9) |
| Total no. of reflections | 208,393 |
| No. of independent reflections | 134,168 |
| Completeness (%) | 64 (33) |
| Redundancy | 8.2 |
| Avg I/σ〈I〉 | 6.3 (0.5) |
| Rsym (%) | 9.3 (49.4) |
| Refinement statistics | |
| Resolution (Å) | 75.3–2.9 (1.89–1.80) |
| No. of: | |
| Nonsolvent atoms | 34,500 |
| Zn2+ atoms | 10 |
| Ca2+ atoms | 15 |
| Water molecules | 72 |
| Rwork | 21.3 (45.6) |
| No. of reflections | 15,078 (2,487) |
| Rfree (%) | 24.1 (47.3) |
| Avg B factor (Å2) | |
| Nonsolvent atoms | 52.6 |
| Zn2+ | 34.1 |
| Ca2+ | 86.0 |
| Water | 37.3 |
| RMSD | |
| Bond length (Å) | 0.011 |
| Bond angles (°) | 1.5 |
| Ramachandran analysis (%) | |
| Most favored region | 87.6 |
| Additionally allowed | 11.6 |
| Generously allowed | 0.8 |
| Disallowed | 0 |
a
Rsym, Σj|I(h)j − <I(h)>|/Σj I(h)j; I, intensity of a reflection; RMSD, root mean square deviation.
b
The values in parentheses represent the highest-resolution shell for CNV.