Table 1.
Crystallographic Data Collection and Refinement Statistics
| Statistics | Human CAPN5-PC Wild-Type (Inactive) |
|---|---|
| Data Collection | |
| Beam line | ALS 4.2.2 |
| Wavelength (Å) | 1.0000 |
| Space group | P 1 21 1 |
| Unit cell dimensions (a, b, c, α, β, γ) | 84.0 Å, 51.6 Å, 110.6 Å, 90°, 110.4°, 90° |
| Resolution range (Å) | 51.8–2.8 |
| Total reflections | 43,742 (4,389) |
| Unique reflections | 22,239 (2,233) |
| Multiplicity | 2.0 (2.0) |
| Completeness (%) | 99.5 (99.1) |
| I/σ (I) | 10.8 (1.73) |
| Wilson B-factor (Å2) | 50.7 |
| Rmeas | 0.087 (0.623) |
| CC1/2 | 99.6 (80.4) |
| Refinement | |
| Resolution (Å) | 2.8 |
| No. of reflections used in refinement | 22,201 (2,226) |
| No. of reflections used for Rfree | 1,060 (119) |
| Rwork | 0.227 (0.339) |
| Rfree | 0.285 (0.442) |
| No. of non-hydrogen atoms | 5,595 |
| Protein | 5,595 |
| Water | 0 |
| B-factors (Å2) | 50.2 |
| RMSDa | |
| Bond length (Å) | 0.01 |
| Bond angle (°) | 1.12 |
| Ramachandran Plot (%) | |
| In preferred regions | 95.3 |
| In allowed regions | 4.6 |
| Outliers | 0.1 |
| PDB accession code | 6P3Q |
The numbers in parentheses are for the highest-resolution shell.
a
Root-mean-square deviation to ideal values.