Table 1.
Data collection statistics
| Parameter | Valuea for: |
|||
|---|---|---|---|---|
| Native CTX-M-15 | CTX-M-15–avibactam complex | Native AmpC | AmpC-avibactam complex | |
| X-ray source | ESRF BM14U | ESRF BM14U | ESRF ID29 | FRE+ |
| Wavelength (Å) | 0.918 | 0.918 | 0.936 | 1.54178 |
| Data collection temp (K) | 100 | 100 | 100 | 100 |
| Space group | P212121 | P212121 | P3221 | P212121 |
| Cell dimensions (Å) | a = 44.698, b = 45.730, c = 117.086 | a = 44.483, b = 45.69, c = 117.721 | a = b = 83.06, c = 122.42 | a = 44.8814, b = 71.2045, c = 106.2468 |
| Subunits/asu | 1 | 1 | 1 | 1 |
| Matthews coefficient (Å3Da-1) | 2.08 | 2.08 | 3.05 | 2.44 |
| Solvent concn (%) | 41.01 | 41.01 | 59.67 | 49.66 |
| Resolution limits (Å) | 29.27–1.10 (1.16–1.10) | 23.54–1.10 (1.16–1.10) | 46.617–1.79 (1.89–1.79) | 106.29–1.86 (1.96–1.86) |
| Reflections measured | 767,395 (109,593) | 596,968 (85,566) | 79,535 (9,784) | 126,025 (11,566) |
| Unique reflections | 97,955 (14,022) | 98,124 (14,148) | 38,317 (5,537) | 28,813 (3,828) |
| Completeness (%) | 99.8 (99.2) | 99.9 (100.0) | 83.3 (82.7) | 97.9 (90.5) |
| Rmerge (%) | 7.5 (43.8) | 5.1 (14.5) | 6.2 (37.4) | 12.0 (62.7) |
| Multiplicity | 7.8 (7.8) | 6.1 (6.0) | 2.1 (1.8) | 4.9 (3.0) |
| I/σ(I) | 14.9 (4.3) | 20.3 (11.2) | 8.7 (1.8) | 22.8 (1.8) |
a
Data in parentheses are for the highest-resolution shell.