8R0I
Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-15 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.018, 103.667, 141.315 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.349 - 1.510 |
| Rwork | 0.192 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.868 |
| Data reduction software | xia2 (3.12.0) |
| Data scaling software | DIALS (3.12.1) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.350 | 1.540 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Number of reflections | 115834 | 5652 |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 100.0 | 98.5 |
| Redundancy | 6.8 | 5.9 |
| CC(1/2) | 0.998 | 0.293 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.24M ammonium formate and 35% PEG3350 |
