TABLE 3.
Data collection and refinement statistics for DdiCel7A and DpuCel7A
| Parameter | Value(s) fora: |
|
|---|---|---|
| DdiCel7A | DpuCel7A | |
| Data collection statistics | ||
| PDB accession no. | 4ZZQ | 4ZZP |
| Beam line | I911-3, MAX-Lab | ID23-1, ESRF |
| Space group | P212121 | P212121 |
| a, b, c (Å) unit cell dimensions | 44.2, 62.9, 132.9 | 55.6, 85.2, 168.5 |
| Wavelength (Å) | 1.0 | 0.87 |
| Resolution (Å) | 45.7–2.10 (2.21–2.10) | 46.9–2.70 (2.85–2.70) |
| No. of unique reflections | 22,434 | 22,787 |
| Multiplicity | 8.3 (8.3) | 6.6 (6.3) |
| Completeness (%) | 100 (100) | 99.9 (99.9) |
| I/σI | 5.5 (1.3) | 5.3 (3.2) |
| Rmergeb | 0.33 (1.6) | 0.25 (0.5) |
| Refinement statistics | ||
| Rwork/Rfree (%) | 25.6/35.1 | 23.5/31.4 |
| Mean B factor (Å2) | 28.5 | 15.16 |
| No. of amino acids | 437 | 437 |
| Completeness (%) | 99.9 | 99.8 |
| RMSD | ||
| Bond angle (°) | 1.26 | 1.27 |
| Bond length (Å) | 0.0073 | 0.0058 |
a
Numbers in parentheses correspond to the highest-resolution bins.
b
Rmerge = ∑h∑i|I(h)i − 〈I(h)〉|/∑h∑i I(h)i, where I(h)i is the intensity (I) of reflection h and 〈I(h)〉 is the average value over multiple measurements.