5SN9
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z57258487
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 | 2019-04-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.865, 65.730, 84.331 |
| Unit cell angles | 90.00, 93.42, 90.00 |
Refinement procedure
| Resolution | 59.380 - 1.580 |
| R-factor | 0.1849 |
| Rwork | 0.183 |
| R-free | 0.21970 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.589 |
| 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] | 59.290 | 59.290 | 1.620 |
| High resolution limit [Å] | 1.580 | 7.070 | 1.580 |
| Rmerge | 0.061 | 0.028 | 0.680 |
| Rmeas | 0.074 | 0.033 | 0.908 |
| Rpim | 0.042 | 0.018 | 0.596 |
| Total number of observations | 287972 | 3814 | 13931 |
| Number of reflections | 101945 | ||
| <I/σ(I)> | 8.3 | 23.4 | 1.1 |
| Completeness [%] | 99.0 | 99.9 | 95 |
| Redundancy | 2.8 | 3.1 | 1.9 |
| CC(1/2) | 0.992 | 0.997 | 0.531 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
