5SOA
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1613492358
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 | 137.570, 65.290, 84.290 |
| Unit cell angles | 90.00, 93.65, 90.00 |
Refinement procedure
| Resolution | 84.120 - 1.540 |
| R-factor | 0.1747 |
| Rwork | 0.173 |
| R-free | 0.20430 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.667 |
| 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] | 84.120 | 84.120 | 1.580 |
| High resolution limit [Å] | 1.540 | 6.890 | 1.540 |
| Rmerge | 0.050 | 0.016 | 0.696 |
| Rmeas | 0.060 | 0.020 | 0.916 |
| Rpim | 0.033 | 0.011 | 0.590 |
| Total number of observations | 304837 | 4043 | 13517 |
| Number of reflections | 108493 | ||
| <I/σ(I)> | 13.7 | 48.9 | 1.1 |
| Completeness [%] | 98.4 | 99.3 | 93.1 |
| Redundancy | 2.8 | 3.1 | 1.8 |
| CC(1/2) | 0.999 | 0.999 | 0.494 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
