5SNY
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1827602749
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 | 2019-05-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 138.011, 65.667, 84.382 |
| Unit cell angles | 90.00, 93.59, 90.00 |
Refinement procedure
| Resolution | 68.960 - 1.970 |
| R-factor | 0.1835 |
| Rwork | 0.181 |
| R-free | 0.23060 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.439 |
| 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] | 68.920 | 68.920 | 2.020 |
| High resolution limit [Å] | 1.970 | 8.810 | 1.970 |
| Rmerge | 0.150 | 0.042 | 0.946 |
| Rmeas | 0.180 | 0.050 | 1.150 |
| Rpim | 0.097 | 0.026 | 0.646 |
| Total number of observations | 175560 | 2139 | 11938 |
| Number of reflections | 53354 | ||
| <I/σ(I)> | 4.7 | 11.2 | 1.1 |
| Completeness [%] | 99.8 | 99.7 | 99.6 |
| Redundancy | 3.3 | 3.3 | 3.1 |
| CC(1/2) | 0.974 | 0.996 | 0.442 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
