Table 1. Data-collection and processing statistics.
Values in parentheses are for the highest resolution shell.
| EcDdlB–ATP–D-alanyl-D-alanine | EcDdlB–ADP–D-alanyl-D-alanine | |
|---|---|---|
| Beamline | I04, Diamond | I04, Diamond |
| Detector | ADSC Q315 CCD | ADSC Q315 CCD |
| Wavelength (Å) | 0.9763 | 0.9763 |
| Space group | P212121 | P212121 |
| Unit-cell parameters | ||
| a (Å) | 51.23 | 53.00 |
| b (Å) | 97.80 | 97.62 |
| c (Å) | 110.12 | 109.49 |
| Molecules per ASU | 2 | 2 |
| Matthews coefficient (Å3 Da−1) | 2.09 | 2.14 |
| Solvent convent (%) | 41 | 43 |
| Resolution range (Å) | 49–1.4 (1.45–1.4) | 48–1.5 (1.55–1.5) |
| Total observations | 648917 | 601481 |
| Unique reflections | 106197 | 91443 |
| Average I/σ(I) | 22.4 (2.1) | 18.9 (2.1) |
| Rmerge† (%) | 0.069 (0.577) | 0.093 (0.578) |
| Completeness (%) | 97.1 (94.6) | 99.9 (99.1) |
†
R
merge = 
, where Ii(hkl) is the ith observation of reflection hkl and 〈I(hkl)〉 is the mean intensity of that reflection