5SNC
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z768399682
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 | 2019-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.182, 65.627, 84.454 |
| Unit cell angles | 90.00, 93.58, 90.00 |
Refinement procedure
| Resolution | 84.290 - 1.780 |
| R-factor | 0.1842 |
| Rwork | 0.182 |
| R-free | 0.22360 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.501 |
| 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 | 1.830 |
| High resolution limit [Å] | 1.780 | 7.960 | 1.780 |
| Rmerge | 0.159 | 0.045 | 0.840 |
| Rmeas | 0.190 | 0.055 | 1.061 |
| Rpim | 0.103 | 0.030 | 0.637 |
| Total number of observations | 232179 | 2848 | 13925 |
| Number of reflections | 71265 | ||
| <I/σ(I)> | 4.8 | 12.8 | 1.1 |
| Completeness [%] | 98.6 | 99.6 | 97.6 |
| Redundancy | 3.3 | 3.3 | 2.7 |
| CC(1/2) | 0.985 | 0.990 | 0.357 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
