9I76
Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carboxamido)butanoic acid
This is a non-PDB format compatible entry.
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 EIGER X 16M |
| Wavelength(s) | 1.03321 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.800, 103.800, 141.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.730 - 1.470 |
| Rwork | 0.162 |
| R-free | 0.18980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.983 |
| Data reduction software | XDS |
| Data scaling software | pointless (1.12.8) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.740 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Number of reflections | 125625 | 6169 |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 7.3 |
| CC(1/2) | 0.999 | 0.482 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.24 ammonium formate and 35% PEG3350 |
