8QER
Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carbonylamino)pentanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-10 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.322, 103.969, 140.729 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.764 - 1.950 |
| Rwork | 0.186 |
| R-free | 0.24590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.684 |
| Data reduction software | XDS (Jan 10, 2022) |
| Data scaling software | Aimless (0.7.7 : 23/04/21) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.764 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 53820 | 5219 |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 6.3 |
| CC(1/2) | 0.996 | 0.555 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.24M ammonium formate and 35% PEG3350 |
