Table 1.
X-ray diffraction data collection and refinement statistics
| Cw6-ARTE | Cw6-ARFN | Cw6-ADAMTSL5 | |
|---|---|---|---|
| PDB accession code | 5W6A | 5W69 | 5W67 |
| Data collection | |||
| Space Group | P1211 | P212121 | P212121 |
| Wavelength (Å) | 0.953700 | 0.953700 | 0.953700 |
| Number of images | 420 | 220 | 1100 |
| Oscillation range per image (°) | 1 | 1 | 0.1 |
| Detector | ADSC mx2 | ADSC mx2 | Eiger mx2 |
| Cell dimensions | |||
| a, b , c (Å) | 46.2, 137, 71 | 51.2, 182.4, 223.0 | 44.1, 81.6, 116.1 |
| α, β , γ (°) | 90, 107.1, 90 | 90, 90, 90 | 90, 90, 90 |
| Resolution range (Å) | 48.2–1.74 | 74.34–2.80 | 41.2–2.30 |
| (1.77–1.74) | (2.89–2.80) | (2.38–2.30) | |
| Rpim | 0.03 (0.32) | 0.11 (0.51) | 0.09 (0.42) |
| Mn(I) half-set correlation CC(1/2) | 0.99 (0.75) | 0.99 (0.81) | 0.99 (0.69) |
| I/σI | 18.8 (2.7) | 11.8 (2.5) | 7.5 (3.2) |
| Total observations | 752,689 (34,359) | 473,875 (41362) | 76,137 (6072) |
| Unique reflections | 86,176 (4252) | 52,631 (4512) | 19,189 (1863) |
| Completeness (%) | 99.6 (92.8) | 100 (100) | 99.7 (99.9) |
| Multiplicity | 8.7 (8.1) | 9.0 (9.2) | 4.0 (3.3) |
| Matthews coefficient, VM (Å3 Da−1) | 2.66 | 2.37 | 2.32 |
| Solvent (%) | 53.8 | 48.03 | 47.1 |
| Refinement | |||
| Resolution range (Å) | 68.5–1.74 | 41.99–2.80 | 41.197 − 2.300 |
| (1.78–1.74) | (2.87–2.80) | (2.382 − 2.300) | |
| Rwork | 0.1605 | 0.1641 | 0.1883 |
| Rfree | 0.2007 | 0.2231 | 0.2347 |
| Biological complexes in ASU | 2 | 4 | 1 |
| Protein molecules in ASU | 6 | 12 | 3 |
| Number of atoms | |||
| Protein | 6248 | 12458 | 3080 |
| Ligands | 0 | 0 | 24 |
| Water | 780 | 795 | 223 |
| Average B factor (Å) | |||
| Protein | 26.9 | 35.2 | 28.8 |
| Ligands | 0 | 0 | 48.6 |
| Water | 33.6 | 29.4 | 36.2 |
| R.m.s. deviation | |||
| Bond lengths (Å) | 0.0266 | 0.010 | 0.002 |
| Bond angles (°) | 2.3127 | 1.11 | 0.505 |
| Ramachandran plot | |||
| Allowed (%) | 100 | 100 | 100 |
| Outlier (%) | 0 | 0 | 0 |