8PD1
Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-11-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03321 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.990, 103.760, 141.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.710 - 1.870 |
| R-factor | 0.15906 |
| Rwork | 0.158 |
| R-free | 0.19588 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.580 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.710 | 1.980 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Number of reflections | 61715 | 9770 |
| <I/σ(I)> | 17.96 | 2.27 |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 7.47 | 7.64 |
| CC(1/2) | 0.999 | 0.749 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate and 31.2% PEG3350 |
