8CN8
apo Pseudomonas aeruginosa FabF C164A mutant
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 | 2021-08-19 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976246 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.837, 72.496, 139.592 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.670 - 1.800 |
| R-factor | 0.14309 |
| Rwork | 0.141 |
| R-free | 0.17474 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.664 |
| 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] | 47.630 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.089 | 0.300 |
| Number of reflections | 126727 | 6098 |
| <I/σ(I)> | 12.7 | 4.9 |
| Completeness [%] | 96.8 | 94.9 |
| Redundancy | 7.2 | 6.9 |
| CC(1/2) | 0.996 | 0.949 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate and 31.2% PEG3350 |
