9FZ7
Pseudomonas aeruginosa penicillin binding protein 3 in complex with cefiderocol
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 | 2023-11-12 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.051, 82.965, 90.217 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.110 - 1.800 |
| R-factor | 0.1903 |
| Rwork | 0.189 |
| R-free | 0.21770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.663 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.070 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.093 | 1.068 |
| Rpim | 0.026 | 0.306 |
| Number of reflections | 48820 | 2358 |
| <I/σ(I)> | 15.9 | 1.1 |
| Completeness [%] | 99.9 | 98 |
| Redundancy | 13.6 | |
| CC(1/2) | 0.998 | 0.812 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.2 M Ammonium formate, 20 % w/v PEG 3350 |
