9S5M
ADC-30 class C beta-lactamase in complex with taniborbactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-04-10 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.260, 83.724, 207.777 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.350 - 1.590 |
| R-factor | 0.1741 |
| Rwork | 0.173 |
| R-free | 0.21410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.797 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.140 | 1.620 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rpim | 0.041 | 0.724 |
| Number of reflections | 103037 | 5016 |
| <I/σ(I)> | 8.5 | 0.3 |
| Completeness [%] | 100.0 | |
| Redundancy | 13.4 | |
| CC(1/2) | 0.998 | 0.342 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | ADC-30 (5 mg/mL) in 24% w/v polyethylene glycol (PEG) 2000, 0.1 M succinate/ phosphate/ glycine |
