9OR3
X-ray diffraction structure of CTX-M-14 beta-lactamase co-crystallized with avibactam
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 | 45.030, 106.790, 47.590 |
| Unit cell angles | 90.00, 102.38, 90.00 |
Refinement procedure
| Resolution | 53.400 - 1.600 |
| R-factor | 0.1571 |
| Rwork | 0.155 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.951 |
| 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] | 53.400 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.123 | |
| Number of reflections | 110382 | 17859 |
| <I/σ(I)> | 7.31 | |
| Completeness [%] | 96.5 | 94 |
| Redundancy | 3.74 | 3.71 |
| CC(1/2) | 0.990 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 293 | 1.4 M potassium phosphate pH 7.9 |
