8PFZ
Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid
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 | 101.160, 103.560, 141.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.610 - 1.780 |
| R-factor | 0.18844 |
| Rwork | 0.188 |
| R-free | 0.22601 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.482 |
| 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] | 48.610 | 1.890 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Number of reflections | 128662 | 16075 |
| <I/σ(I)> | 10.16 | |
| Completeness [%] | 93.6 | 72.3 |
| Redundancy | 3.54 | 2.14 |
| CC(1/2) | 0.990 | 0.340 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.20M ammonium formate and 31.2% PEG3350 |
