5SOH
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31432226
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.349, 65.369, 84.429 |
| Unit cell angles | 90.00, 93.45, 90.00 |
Refinement procedure
| Resolution | 68.640 - 1.610 |
| R-factor | 0.1792 |
| Rwork | 0.177 |
| R-free | 0.21140 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.530 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.550 | 68.550 | 1.700 |
| High resolution limit [Å] | 1.610 | 5.090 | 1.610 |
| Rmerge | 0.062 | 0.022 | 0.895 |
| Rmeas | 0.075 | 0.026 | 1.165 |
| Rpim | 0.042 | 0.014 | 0.737 |
| Total number of observations | 280974 | 10406 | 29016 |
| Number of reflections | 96034 | ||
| <I/σ(I)> | 10.5 | 40.2 | 0.8 |
| Completeness [%] | 99.2 | 99.4 | 97.6 |
| Redundancy | 2.9 | 3.3 | 2.1 |
| CC(1/2) | 0.998 | 0.999 | 0.416 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
