9GQV
Pseudomonas aeruginosa FabF C164A in complex with N-((1-((2-hydroxy-4-methylpentanamido)methyl)cyclobutyl)methyl)-1H-pyrazole-3-carboxamide
This is a non-PDB format compatible entry.
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 | 100.679, 103.811, 143.318 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.905 - 1.766 |
| Rwork | 0.182 |
| R-free | 0.22220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.976 |
| Data reduction software | xia2 (3.12.0) |
| Data scaling software | DIALS (3.12.1) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.910 | 1.800 |
| High resolution limit [Å] | 1.766 | 1.770 |
| Rmerge | 0.099 | 1.276 |
| Rmeas | 0.113 | 1.471 |
| Rpim | 0.053 | 0.713 |
| Number of reflections | 73113 | 3398 |
| <I/σ(I)> | 8.1 | 0.7 |
| Completeness [%] | 99.2 | 93.9 |
| Redundancy | 4.6 | 4.3 |
| CC(1/2) | 0.989 | 0.280 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.24M ammonium formate and 35% PEG3350 |
