5SOD
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1730522163
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 | 137.563, 65.157, 84.377 |
| Unit cell angles | 90.00, 93.55, 90.00 |
Refinement procedure
| Resolution | 84.210 - 1.640 |
| R-factor | 0.1711 |
| Rwork | 0.170 |
| R-free | 0.20140 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.647 |
| 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] | 84.290 | 84.290 | 1.680 |
| High resolution limit [Å] | 1.640 | 7.330 | 1.640 |
| Rmerge | 0.094 | 0.051 | 0.728 |
| Rmeas | 0.114 | 0.062 | 0.957 |
| Rpim | 0.064 | 0.035 | 0.614 |
| Total number of observations | 266792 | 3446 | 13567 |
| Number of reflections | 90646 | ||
| <I/σ(I)> | 9 | 16.3 | 3 |
| Completeness [%] | 99.2 | 100 | 96.8 |
| Redundancy | 2.9 | 3.2 | 2.1 |
| CC(1/2) | 0.988 | 0.956 | 0.343 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | % |
