8PJ0
Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
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 | 2021-08-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976246 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.461, 141.345, 72.484 |
| Unit cell angles | 90.00, 91.64, 90.00 |
Refinement procedure
| Resolution | 48.830 - 1.700 |
| Rwork | 0.162 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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] | 48.830 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 158061 | 7870 |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 7.1 | 6.8 |
| CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 278 | 0.20M ammonium formate and 31.2% PEG3350 |
