9I7K
Pseudomonas aeruginosa FabF C164A in complex with N-(3-(2-(1H-pyrrol-1-yl)propanamido)-2-hydroxy-2-methylpropyl)-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 EIGER X 9M |
| Wavelength(s) | 0.873129 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.744, 104.195, 142.593 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.426 - 1.827 |
| Rwork | 0.173 |
| R-free | 0.21720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.171 |
| Data reduction software | autoPROC (1.1.7) |
| Data scaling software | Aimless (0.7.13) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.426 | 1.858 |
| High resolution limit [Å] | 1.827 | 1.827 |
| Number of reflections | 66594 | 3321 |
| <I/σ(I)> | 5.8 | 0.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.990 | 0.330 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.24 ammonium formate and 35% PEG3350 |
