9ORB
X-ray diffraction structure of the CTX-M-14 beta-lactamase-avibactam complex an inhibitor cocktail-soaked crystal
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2025-05-11 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.210, 107.190, 47.920 |
| Unit cell angles | 90.00, 101.88, 90.00 |
Refinement procedure
| Resolution | 35.290 - 1.500 |
| R-factor | 0.1535 |
| Rwork | 0.152 |
| R-free | 0.17530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.944 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.290 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.034 | 0.034 |
| Number of reflections | 139145 | 24375 |
| <I/σ(I)> | 23.87 | 12.71 |
| Completeness [%] | 98.6 | 98.2 |
| Redundancy | 3.54 | 3.44 |
| CC(1/2) | 0.999 | 0.992 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 293 | 1.4 M potassium phosphate pH 7.9 |
