5SOF
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z373768900
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 | 138.060, 65.551, 84.243 |
| Unit cell angles | 90.00, 93.42, 90.00 |
Refinement procedure
| Resolution | 84.090 - 1.500 |
| R-factor | 0.1847 |
| Rwork | 0.183 |
| R-free | 0.21550 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.585 |
| 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] | 84.090 | 84.090 | 1.580 |
| High resolution limit [Å] | 1.500 | 4.730 | 1.500 |
| Rmerge | 0.046 | 0.019 | 0.970 |
| Rmeas | 0.056 | 0.023 | 1.286 |
| Rpim | 0.031 | 0.012 | 0.836 |
| Total number of observations | 323209 | 12994 | 24358 |
| Number of reflections | 116801 | ||
| <I/σ(I)> | 11.8 | 47.5 | 0.7 |
| Completeness [%] | 96.7 | 99.3 | 82.7 |
| Redundancy | 2.8 | 3.3 | 1.7 |
| CC(1/2) | 0.999 | 0.999 | 0.358 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
