5SN8
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z375990520
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 | 138.650, 65.928, 84.493 |
| Unit cell angles | 90.00, 93.48, 90.00 |
Refinement procedure
| Resolution | 69.290 - 1.800 |
| R-factor | 0.1874 |
| Rwork | 0.185 |
| R-free | 0.22380 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.568 |
| 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] | 69.200 | 69.200 | 1.900 |
| High resolution limit [Å] | 1.800 | 5.690 | 1.800 |
| Rmerge | 0.148 | 0.047 | 1.010 |
| Rmeas | 0.177 | 0.056 | 1.258 |
| Rpim | 0.096 | 0.030 | 0.740 |
| Total number of observations | 232184 | 7859 | 28376 |
| Number of reflections | 70570 | ||
| <I/σ(I)> | 6.3 | 19.2 | 1.1 |
| Completeness [%] | 99.7 | 99.7 | 99.7 |
| Redundancy | 3.3 | 3.4 | 2.8 |
| CC(1/2) | 0.990 | 0.996 | 0.392 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
